SCHEMBL8712371

SCHEMBL8712371

CC(=O)OCC(C)=CCNc1ncnc2nc[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.70
▸ RECQL P46063 1/20 0.70
▸ CYP1A2 P05177 3/20 0.67
▸ CDK2 P24941 2/20 0.67
▸ TP53 P04637 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ BRAF P15056 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PRMT1 Q99873 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL29412055 0.83 TSHR (1.00) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL1944933 0.83 TSHR (1.00) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL25176316 0.83 TSHR (1.00) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL29350488 0.83 TSHR (1.00) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL8712368 0.82 TSHR (0.46) TSHRRECQLCYP1A2CDK2TP53
Hydrochloric Acid SCHEMBL584649 0.82 TSHR (0.97) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL10344950 0.82 CYP1A2 (0.76) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL459276 0.81 CYP1A2 (1.00) TSHRRECQLCYP1A2CDK2TP53
SCHEMBL29371127 0.81 CYP1A2 (1.00) TSHRRECQLCYP1A2CDK2TP53
Alcohol SCHEMBL28719125 0.81 TSHR (0.95) TSHRRECQLCYP1A2CDK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 — — EP disclosed
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