SCHEMBL6773239

SCHEMBL6773239

[c]1cc(Oc2ccccc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
GLA P06280 1/20 0.40
BCAT2 O15382 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MAP4K4 O95819 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7759150 0.83 MAP4K4 (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL5194735 0.81 MEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C9ALDH1A1
SCHEMBL7758132 0.81 HTT (0.42) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL17764755 0.81 MEN1 (0.45) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL7759131 0.81 LMNA (0.47) SMN1; SMN2ALDH1A1HTTLTA4HMAP4K4
SCHEMBL7759307 0.78 KDM4E (0.40) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL8062064 0.75 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1HTTL3MBTL1
SCHEMBL8176365 0.75 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL8059604 0.75 MEN1 (0.47) SMN1; SMN2ALDH1A1HTTMAP4K4MAPK1
SCHEMBL6771203 0.74 LMNA (0.43) SMN1; SMN2RAB9ACYP1A2CYP2C19ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6200997-B1 CYCLIZATION TO GIVE OXAZOLIDINEDIONES AND TRIAZOLIDINEDIONES BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-1015412-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
EP-1015420-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 2000-07-05 EP disclosed
US-6075148-A CARBAMATE DERIVATIVES ARE USEFUL FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
US-5981532-A FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
WO-1999012892-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
WO-1999012885-A1 SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed