SCHEMBL7214592

SCHEMBL7214592

Fc1cc[c]c(Cn2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 11/20 0.55
▸ CYP11B2 P19099 9/20 0.55
▸ CYP19A1 P11511 8/20 0.53
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ QPCT Q16769 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.44
▸ QPCTL Q9NXS2 1/20 0.44
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2B6 P20813 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
SCHEMBL7390727 0.78 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL1865702 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11232802 0.73 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9747422 0.71 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL16946121 0.71 CYP19A1 (0.63) CYP11B1CYP11B2CYP19A1
SCHEMBL28750656 0.70 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10518956 0.69 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL11082155 0.69 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL19541843 0.69 CYP19A1 (0.57) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL6299116 0.69 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2POLB

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-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 — — US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 — — US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 — — US disclosed
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