SCHEMBL9375772

SCHEMBL9375772

Cc1cc(OCC(O)(c2cccnc2)C(C)(C)C)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP3A5 P20815 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ CYP19A1 P11511 6/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MRGPRX4 Q96LA9 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
SCHEMBL10999210 0.80 KCNA5 (0.47) CYP3A4CYP19A1KCNA5
SCHEMBL933064 0.79 CYP19A1 (0.43) MAPTKMT2ACYP3A4CYP3A5CYP19A1
SCHEMBL9372769 0.79 LMNA (0.48) CYP3A4CYP3A5CYP19A1SMN1; SMN2KCNA5
SCHEMBL9372057 0.78 CYP19A1 (0.49) L3MBTL1KMT2ACYP3A4CYP3A5MEN1
SCHEMBL10516374 0.77 CYP19A1 (0.43) KMT2AMEN1CYP19A1SMN1; SMN2PDE2A
SCHEMBL9372144 0.77 NOTUM (0.46) MAPTCYP3A4CYP19A1SMN1; SMN2KCNA5
SCHEMBL9373572 0.72 CYP3A4 (0.50) CYP3A4CYP3A5CYP19A1KCNA5
SCHEMBL9299239 0.70 KCNA5 (0.49) CYP3A4CYP3A5CYP19A1KCNA5
SCHEMBL10457874 0.70 CYP19A1 (0.47) KMT2ACYP3A4CYP3A5MEN1CYP19A1
SCHEMBL17171925 0.69 CYP19A1 (0.39) CYP3A4CYP3A5CYP19A1

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
EP-0302366-B1 Substituted pyridine derivatives BAYER AG (DE) 1994-09-14 — — EP disclosed
US-5047544-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
US-5036073-A For agricultural use BAYER AKTIENGESELLSCHAFT (DE) 1991-07-30 — — US disclosed
EP-0302365-A2 Substituted pyridines BAYER AG (DE) 1989-02-08 — — EP disclosed
Send feedback