SCHEMBL9768219

SCHEMBL9768219

O=C(CBr)C1(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
SSTR1 P30872 1/20 0.44
SSTR4 P31391 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL23630306 0.81 SSTR1 (0.46) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL11296862 0.80 OPRM1 (0.49) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL9768235 0.80 SSTR1 (0.48) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL9768233 0.77 ATF4 (0.54) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL1769917 0.73 HSD11B1 (0.51) GSK3BKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL23630293 0.72 SSTR1 (0.40) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL4629950 0.71 L3MBTL1 (0.53) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL14390143 0.70 POLB (0.46) SSTR1SSTR4MEN1KMT2APOLB
SCHEMBL1769960 0.70 HDAC4 (0.54) GSK3BALDH1A1SMN1; SMN2LMNA
SCHEMBL1770012 0.70 HDAC4 (0.58) GSK3BALDH1A1SMN1; SMN2LMNA

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
US-4988383-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0384246-A2 Cyclopropyl-hydroxyethyl-azolyl derivatives BAYER AG (DE) 1990-08-29 EP disclosed