SCHEMBL9860368

SCHEMBL9860368

COC=C(C#N)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.48
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRB2 P47870 4/20 0.48
GABRB1 P18505 2/20 0.48
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL9860364 1.00 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9190963 0.80 POLB (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL4468677 0.80 POLB (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL4468681 0.80 POLB (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9860358 0.79 NPC1 (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL9860429 0.79 NPC1 (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL9860377 0.73 MEN1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9860375 0.73 MEN1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL7944695 0.73 TSHR (0.53) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL8065539 0.72 SMN1; SMN2 (0.71) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990646-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US claimed
EP-0168737-A2 Process for the preparation of halogenated quinolinoncarboxylic acids BAYER AG (DE) 1986-01-22 EP claimed
US-4990646-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4914228-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
US-4782156-A Nitriles of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
US-4680401-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-07-14 US disclosed
EP-0168737-A2 Process for the preparation of halogenated quinolinoncarboxylic acids BAYER AG (DE) 1986-01-22 EP disclosed