SCHEMBL10440799

SCHEMBL10440799

ClC(Cl)c1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
ATM Q13315 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DYRK1A Q13627 1/20 0.46
MET P08581 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP6 P55212 1/20 0.44

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
SCHEMBL8918196 0.81 NR4A2 (0.50) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL18583330 0.81 NPC1 (0.49) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL21709860 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL31023643 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL11872356 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL112749 0.81 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL14322835 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL22521436 0.78 ALDH1A1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL188108 0.78 UGT2B7 (0.56) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL21912621 0.78 ALDH1A1 (0.55) NPC1POLBRAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399394-A1 8-Azolylmethylquinolines BASF Aktiengesellschaft (DE) 1990-11-28 EP disclosed