SCHEMBL9530887

SCHEMBL9530887

Cc1cccc(C)c1N/C=N\C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CYP2C9 P11712 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33

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
SCHEMBL9530892 1.00 TSHR (0.34) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21318170 0.78 MAPT (0.44) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9501188 0.73 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9501612 0.73 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7692381 0.71 MEN1 (0.42) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27577354 0.69 CYP1A2 (0.39) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10861598 0.68 KMT2A (0.43) TSHRGRIN2DGRIN3BGRIN1GRIN2A
Acetonitrile SCHEMBL28699533 0.68 TRPA1 (0.48) TSHRCYP2C9MEN1KMT2ACYP1A2
SCHEMBL20751679 0.67 CYP1A2 (0.38) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL429150 0.67 ALDH1A1 (0.42) TSHRCYP2C9MEN1KMT2ACYP1A2

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
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 — — EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 — — US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 — — EP disclosed
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