SCHEMBL7478971

SCHEMBL7478971

c1cncc(Nc2nsc3nc4ccccc4n23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
CYP17A1 P05093 1/20 0.46
KMT2A Q03164 2/20 0.45
RAD52 P43351 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE5A O76074 2/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MEN1 O00255 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL7476136 0.77 KMT2A (0.41) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7482369 0.75 HSD17B10 (0.43) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7477152 0.71 KDM4E (0.40) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7472319 0.68 METAP2 (0.43) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7473547 0.68 ALDH1A1 (0.58) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7475534 0.67 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL8044065 0.67 HSD17B10 (0.47) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7007238 0.67 KDM4E (0.46) KMT2ASMN1; SMN2MAPTTSHRRAB9A
SCHEMBL7474031 0.67 DYRK1A (0.51) KMT2ASMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL7470768 0.67 KDM4E (0.46) KMT2ASMN1; SMN2MAPTTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed