SCHEMBL7670684

SCHEMBL7670684

Cc1cc(C(=O)Cl)c(C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 5/20 0.37
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL27454181 0.91 NPC1 (0.38) GPR27RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2154184 0.86 ALDH1A1 (0.37) SMN1; SMN2HPGDALDH1A1BCHECES1
SCHEMBL25304375 0.83 ALDH1A1 (0.33) GPR27RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL24670209 0.82 KDM1A (0.43) GPR27RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL1313097 0.81 BCHE (0.39) RAB9ASMN1; SMN2HPGDALDH1A1BCHE
SCHEMBL17244914 0.80 RAB9A (0.46) GPR27RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2796102 0.80 HSD17B10 (0.44) GPR27HPGDTSHRALDH1A1
SCHEMBL10630755 0.79 ALDH1A1 (0.33) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11670395 0.79 SMN1; SMN2 (0.37) SMN1; SMN2HPGDALDH1A1BCHECES1
Hydrochloric Acid SCHEMBL7670687 0.78 HSD17B10 (0.42) GPR27HPGDTSHRALDH1A1MEN1

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
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed