SCHEMBL3850184

SCHEMBL3850184

O=C(Nc1ccc(Cl)cn1)c1ccc(Br)cc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.73
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 1/20 0.69
GAA P10253 1/20 0.69
TDP1 Q9NUW8 1/20 0.67
BRD4 O60885 1/20 0.57
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
KDR P35968 1/20 0.56
F10 P00742 3/20 0.55
KCNH2 Q12809 2/20 0.55
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 2/20 0.53
ALOX15 P16050 2/20 0.53
MEN1 O00255 2/20 0.52

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
SCHEMBL3851843 0.86 NPC1 (0.57) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL15903524 0.84 SORT1 (1.00) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL15903525 0.84 SORT1 (0.90) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3845645 0.84 SORT1 (0.73) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14345287 0.82 SORT1 (0.73) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3852017 0.81 SORT1 (0.52) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3845400 0.81 NPC1 (0.51) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3852931 0.79 NPC1 (0.60) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20332736 0.78 SORT1 (0.71) SORT1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4858997 0.78 SMN1; SMN2 (0.67) SORT1NPC1RAB9ASMN1; SMN2KMT2A

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