SCHEMBL31361968

SCHEMBL31361968

COCCCOc1cccc(CCl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.49
GGPS1 O95749 2/20 0.43
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TTR P02766 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL9690478 0.84 TSHR (0.51) ALDH1A1KDM4ECYP2D6GGPS1
SCHEMBL10272584 0.84 KDM4E (0.70) ALDH1A1KDM4ECYP2D6CYP1A2MAPK1
SCHEMBL31361961 0.83 KDM4E (0.52) ALDH1A1KDM4ECYP2D6CYP1A2MAPK1
SCHEMBL3978680 0.83 KDM4E (0.52) ALDH1A1KDM4ECYP2D6CYP1A2MAPK1
SCHEMBL6044078 0.83 KDM4E (0.52) ALDH1A1KDM4ECYP2D6CYP1A2MAPK1
SCHEMBL15173215 0.82 MAPK1 (0.57) ALDH1A1KDM4ECYP2D6CYP1A2MAPK1
SCHEMBL8906190 0.82 KMT2A (0.51) ALDH1A1KDM4ECYP2D6MAPK1GGPS1
SCHEMBL2438260 0.82 MAOB (0.43) ALDH1A1KDM4EMAOBSMN1; SMN2HTT
SCHEMBL8291351 0.81 TSHR (0.61) CYP2D6GGPS1
SCHEMBL10672644 0.81 TSHR (0.61) CYP2D6GGPS1

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-119409683-A Benzimidazole compound and application thereof 中国药科大学 2025-02-11 CN disclosed