SCHEMBL7848844

SCHEMBL7848844

Cc1cnc(-c2cccc3c(Br)cccc23)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NOS1 P29475 1/20 0.36
AXL P30530 1/20 0.36
KMT2A Q03164 3/20 0.36
C1R P00736 1/20 0.36
MAPT P10636 9/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 2/20 0.34
PLAU P00749 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP17A1 P05093 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7851507 0.90 CYP1A2 (0.35) RXFP1NPC1RAB9AKMT2AC1R
SCHEMBL9510677 0.81 ALOX15 (0.50) NPC1RAB9AKMT2AMAPTTP53
SCHEMBL8109553 0.80 ALDH1A1 (0.43) KMT2AMAPTMEN1ALDH1A1EDNRB
SCHEMBL12794312 0.78 EDNRB (0.39) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL2227888 0.78 NPC1 (0.39) RXFP1NPC1RAB9AKMT2AALDH1A1
SCHEMBL8177826 0.75 RAB9A (0.47) RXFP1NPC1RAB9AMAPTTP53
SCHEMBL8117762 0.74 TDP1 (0.51) NPC1NOS1KMT2AC1RMAPT
SCHEMBL23176766 0.73 RAB9A (0.59) RXFP1NPC1RAB9AMAPTTP53
SCHEMBL7855029 0.72 TDP1 (0.45) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL18955869 0.70 TTR (0.45) NPC1RAB9AKMT2AMAPTTP53

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-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed