SCHEMBL6978258

SCHEMBL6978258

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)c3ccccc3)cc2C2OC21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.46
KCNH2 Q12809 1/20 0.42
ABCB1 P08183 5/20 0.40
ABCC1 P33527 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL13951737 0.86 KCNH2 (0.42) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL6161775 0.86 KCNH2 (0.42) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL12961840 0.86 KCNH2 (0.42) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL14765557 0.86 KCNH2 (0.42) ALDH1A1HTTMAPTSMN1; SMN2POLB
SCHEMBL6980817 0.85 KCNH2 (0.56) NPC1RAB9AMAPK1ALDH1A1HTT
SCHEMBL6971457 0.85 KCNH2 (0.41) HCAR3NPC1RAB9AMAPK1ALDH1A1
SCHEMBL6972374 0.84 HCAR3 (0.51) HCAR3NPC1RAB9AMAPK1ALDH1A1
SCHEMBL6163980 0.83 KCNH2 (0.47) HCAR3NPC1RAB9AMAPK1ALDH1A1
SCHEMBL6163946 0.82 KCNH2 (0.44) HCAR3NPC1RAB9AALDH1A1MAPT
SCHEMBL6982472 0.82 KCNH2 (0.55) MAPK1ALDH1A1MAPTSMN1; SMN2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
CN-1226243-A Benzodihydropyran derivative NISSAN CHEMICAL IND LTD (JP) 1999-08-18 CN disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed