SCHEMBL11873364

SCHEMBL11873364

CC(C)c1nc2cc(C(F)(F)F)c(C(F)(F)F)cc2n1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAP3K12 Q12852 3/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30

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
SCHEMBL11878957 0.88 CCNT1 (0.31) CCNT1CDK9MAP3K12
SCHEMBL11879887 0.82 SIRT6 (0.39) ALOX15HTTKDM4EALDH1A1LMNA
SCHEMBL11874289 0.82 SIRT6 (0.39) ALOX15HTTKDM4EALDH1A1LMNA
SCHEMBL10251494 0.78 MEN1 (0.43) KDM4EALDH1A1PIK3CA
SCHEMBL11872026 0.78 S1PR1 (0.45) —
SCHEMBL23676503 0.77 ALOX15 (0.54) CCNT1CDK9ALOX15HTTAAK1
SCHEMBL20100075 0.76 S1PR1 (0.36) CCNT1CDK9MAP3K12
SCHEMBL12724791 0.75 KDM4E (0.53) CCNT1CDK9AAK1KDM4EALDH1A1
SCHEMBL24910306 0.72 NR1H2 (0.47) HSD11B1NR1H2NR1H3ALDH1A1
SCHEMBL24978830 0.72 KDM4E (0.47) HSD11B1KDM4EALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987182-A NOVEL BENZIMIDAZOLES USEFUL AS ANTI-ANDROGENS SCHERING CORPORATION (US) 1976-10-19 — — US claimed
US-3987182-A NOVEL BENZIMIDAZOLES USEFUL AS ANTI-ANDROGENS SCHERING CORPORATION (US) 1976-10-19 — — US disclosed
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