SCHEMBL7968617

SCHEMBL7968617

N#Cc1c(O)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42
BIRC5 O15392 2/20 0.39
AR P10275 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL4741271 0.86 GABRB3 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14054812 0.78 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24455322 0.74 PDE2A (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30530057 0.72 PDE2A (0.39) ALDH1A1TMPRSS4IL1BPDE2ACYP3A4
SCHEMBL2331553 0.72 PDE2A (0.39) ALDH1A1TMPRSS4IL1BPDE2ACYP3A4
SCHEMBL30754268 0.71 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22655210 0.71 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5600053 0.71 ALDH1A1 (0.50) ALDH1A1TMPRSS4PDE2ACYP3A4SMN1; SMN2
SCHEMBL9581513 0.69 AR (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Water SCHEMBL29058831 0.68 PDE2A (0.52) BIRC5ALDH1A1TMPRSS4PDE2AGAA

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
US-6172225-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
EP-0906270-B1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 2000-10-25 EP disclosed
EP-0906270-A1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997045398-A1 PROCESS FOR PRODUCING HYDROXYARENES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed