SCHEMBL9795232

SCHEMBL9795232

O=C(Cn1cnc(F)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALPL P05186 4/20 0.43
PLAA Q9Y263 2/20 0.43
ALPG P10696 2/20 0.43
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGD P15428 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL11044807 0.81 POLB (0.55) POLBL3MBTL1SMN1; SMN2ALPLPLAA
SCHEMBL11716674 0.81 ALPL (0.65) POLBL3MBTL1SMN1; SMN2ALPLPLAA
SCHEMBL4969959 0.81 ALPL (0.65) POLBL3MBTL1SMN1; SMN2ALPLPLAA
SCHEMBL28267245 0.75 PLAA (0.59) POLBSMN1; SMN2PLAAALPGMEN1
SCHEMBL28115922 0.71 KDM4E (0.57) L3MBTL1SMN1; SMN2MEN1RECQLKMT2A
SCHEMBL3727754 0.71 BRD4 (0.48) CYP19A1
SCHEMBL1509735 0.70 CYP19A1 (0.71) L3MBTL1PLAAALPGCYP19A1CYP11B1
SCHEMBL20491004 0.70 CYP3A4 (0.45) L3MBTL1SMN1; SMN2ALPLPLAAALPG
Hydrochloric Acid SCHEMBL410578 0.69 CYP19A1 (0.69) L3MBTL1PLAAALPGCYP19A1CYP11B1
SCHEMBL28306997 0.69 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALPLPLAAALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032607-A Enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-16 US disclosed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP disclosed