SCHEMBL9121995

SCHEMBL9121995

Cc1cccc(C(CCCc2cnc[nH]2)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 16/20 1.00
▸ KCNH2 Q12809 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL9350454 0.74 CYP19A1 (0.59) CYP19A1
SCHEMBL9783848 0.74 CYP19A1 (0.60) CYP19A1KCNH2HRH4HRH3
SCHEMBL6546797 0.73 CYP19A1 (0.56) CYP19A1
SCHEMBL9783740 0.72 CYP19A1 (0.68) CYP19A1KCNH2HRH4HRH3
SCHEMBL9121789 0.71 CYP19A1 (0.57) CYP19A1
SCHEMBL9783364 0.70 CYP19A1 (0.58) CYP19A1KCNH2HRH4HRH3
SCHEMBL9123737 0.70 CYP11B1 (0.55) CYP19A1
SCHEMBL9120038 0.70 CYP11B1 (0.55) CYP19A1
SCHEMBL9783539 0.69 CYP19A1 (0.60) CYP19A1KCNH2HRH4HRH3
SCHEMBL6546957 0.69 CYP19A1 (0.51) CYP19A1

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-5439928-A Enzyme inhibitors as antitumor agents for breast cancer ORION-YHTYMA OY (FI) 1995-08-08 — — US disclosed
EP-0390558-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1994-09-07 — — EP disclosed
EP-0390558-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1990-10-03 — — EP disclosed
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