SCHEMBL27461106

SCHEMBL27461106

NNc1ccc(Cl)cc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ BCL2 P10415 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL2137543 0.77 L3MBTL1 (0.56) CYP3A4HPGDBCL2BCL2L1PKM
SCHEMBL9726820 0.77 MEN1 (0.51) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL5006969 0.77 CYP3A4 (0.62) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL5000599 0.76 ALOX15 (0.50) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL27714358 0.76 CYP2A6 (0.42) MEN1KMT2ACYP3A4HPGDALOX15
Hydrochloric Acid SCHEMBL27736326 0.76 L3MBTL1 (0.54) CYP3A4HPGDBCL2BCL2L1PKM
SCHEMBL3618843 0.76 MEN1 (0.67) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL10992564 0.75 L3MBTL1 (0.58) MEN1KMT2ACYP3A4HPGDALOX15
SCHEMBL28614434 0.73 P2RX3 (0.43) MEN1KMT2ASMN1; SMN2MAPT
Clorophene SCHEMBL78119 0.73 HIF1A (1.00) MEN1KMT2ACYP3A4HPGDALOX15

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
CN-1074413-C Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 2001-11-07 — — CN disclosed
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