SCHEMBL9630315

SCHEMBL9630315

O=C=Nc1cccc(C(N=C=O)(N=C=O)c2ccccc2)c1N=C=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34

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
SCHEMBL9181823 0.87 CYP3A4 (0.40) CYP3A4
SCHEMBL11765634 0.85 CYP3A4 (0.40) CYP3A4
SCHEMBL1035105 0.85 CYP3A4 (0.40) CYP3A4GABRA1GABRB2
SCHEMBL28683617 0.84 CYP3A4 (0.39) CYP3A4GABRA1GABRB2
SCHEMBL2298259 0.82 CYP3A4 (0.41) CYP3A4GABRA1GABRB2
SCHEMBL5961207 0.80 KCNN4 (0.31) —
SCHEMBL10959516 0.79 GABRA1 (0.40) CYP3A4GABRA1GABRB2
SCHEMBL14656230 0.78 CYP3A4 (0.65) CYP3A4GABRA1GABRB2
SCHEMBL2476985 0.76 KCNN4 (0.35) CYP3A4GABRA1GABRB2
SCHEMBL11881605 0.75 CYP1A2 (0.31) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301302-B1 PROCESS FOR THE PREPARATION OF POLYURETHANE FOAMS Th. Goldschmidt AG (DE) 1992-11-19 — — EP disclosed
EP-0301307-B1 PROCESS FOR THE PREPARATION OF POLYURETHANE FOAMS Th. Goldschmidt AG (DE) 1992-04-15 — — EP disclosed
US-4837244-A FOAM STABILIZER IS POLYOXYALKYLENE ETHER OF ALKYLPHENOL-ALDEHYDE TH. GOLDSCHMIDT AG (DE) 1989-06-06 — — US disclosed
EP-0301307-A2 Process for the preparation of polyurethane foams Th. Goldschmidt AG (DE) 1989-02-01 — — EP disclosed
EP-0301302-A2 Process for the preparation of polyurethane foams Th. Goldschmidt AG (DE) 1989-02-01 — — EP disclosed
EP-0045090-B1 URETHANE CATALYSIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-04 — — EP disclosed
EP-0134338-A1 Process for preparing polyol-catalyst mixtures useful in the preparation of rigid polyurethane cellular products TEXACO DEVELOPMENT CORPORATION (US) 1985-03-20 — — EP disclosed
US-4465791-A REACTING WATER, A MANNICH BASE COMPOUND AND AN EPOXIDE TEXACO INC. (PARENT) (US) 1984-08-14 — — US disclosed
US-4404120-A REACTION OF AN OXIRANE COMPOUND WITH AN AMINE IN THE PRESENCE OF AN ALDEHYDE TEXACO INC. (US) 1983-09-13 — — US disclosed
US-4404121-A REACTING A MANNICH BASE WITH WATER AND AN EPOXIDE TEXACO INC. (US) 1983-09-13 — — US disclosed
US-4286073-A Urethane catalysis AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-08-25 — — US disclosed
US-4116879-A Quaternary hydroxyalkyl tertiary amine bases as polyurethane catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 1978-09-26 — — US disclosed
US-3988267-A Quaternary hydroxyalkyl tertiary amine bases as polyurethane catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 1976-10-26 — — US disclosed
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