SCHEMBL11242414

SCHEMBL11242414

OC(C#CI)(c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.59
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
GCGR P47871 1/20 0.37
NT5E P21589 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36

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
SCHEMBL11258472 0.89 MEN1 (0.46) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL11255698 0.83 USP2 (0.59) CYP19A1KMT2AMEN1USP2RAB9A
SCHEMBL11256588 0.83 CYP19A1 (0.59) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL11254850 0.82 CHRM2 (0.43) CYP19A1KMT2AMEN1USP2RAB9A
SCHEMBL11258277 0.82 CYP19A1 (0.42) CYP19A1MAPK1TSHRCYP3A4CYP3A5
SCHEMBL11242169 0.81 MEN1 (0.39) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL11258403 0.77 CYP19A1 (0.50) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL11261677 0.73 TSHR (0.43) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL11248026 0.73 CYP19A1 (0.47) CYP19A1KMT2AMAPK1MEN1TSHR
SCHEMBL4328936 0.72 MEN1 (0.75) CYP19A1KMT2AMAPK1MEN1TSHR

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-4322442-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed