SCHEMBL3848191

SCHEMBL3848191

Cc1csc(NC(=O)c2ccc(-c3cnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cn34)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SCD O00767 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 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
SCHEMBL3848697 0.88 ALDH1A1 (0.45) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL3847053 0.87 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL3871634 0.84 ALDH1A1 (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3853878 0.82 CA1 (0.39) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3847872 0.80 MAPT (0.57) NPC1RAB9AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3849378 0.78 MAPT (0.50) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL3847806 0.76 TMIGD3 (0.37) NPC1RAB9AMEN1KMT2A
SCHEMBL3848293 0.76 ALDH1A1 (0.41) NPC1RAB9AMAPTALDH1A1SCD
SCHEMBL3871629 0.76 ALDH1A1 (0.44) NPC1RAB9AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3847648 0.75 MAPT (0.48) NPC1RAB9AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed