SCHEMBL4242874

SCHEMBL4242874

O=C(O)c1n[nH]c2c1CNc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.43
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
KDR P35968 1/20 0.36
GSR P00390 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALPL P05186 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 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
SCHEMBL6672132 0.87 NOS2 (0.34) HCAR2KDR
SCHEMBL3206132 0.75 GSR (0.53) HCAR2KMT2ATSHRKDRGSR
SCHEMBL7044505 0.74 CDK2 (0.55) KMT2A
SCHEMBL2171482 0.72 KDM4E (0.59) HCAR2KMT2AKDRGSRKDM4E
SCHEMBL13061 0.71 NOTUM (0.46) HCAR2LMNA
SCHEMBL3517436 0.71 HCAR2 (0.43) HCAR2KMT2ATSHRGSRKDM4E
SCHEMBL8136875 0.70 CCNA2 (0.41) KMT2ALMNA
SCHEMBL28577870 0.66 NPC1 (0.42) HCAR2KMT2ATSHRGSRKDM4E
SCHEMBL18222126 0.65 CDK5 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL3747850 0.65 ALDH1A1 (0.44) HCAR2KMT2AKDRGSRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 EP disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 WO disclosed