SCHEMBL31591075

SCHEMBL31591075

N#Cc1ccc(Cc2ccc(Cn3cc(C(N)=O)cn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.52
▸ ITK Q08881 1/20 0.45
▸ CYP19A1 P11511 3/20 0.45
▸ SCD O00767 1/20 0.44
▸ EGLN2 Q96KS0 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ ERCC5 P28715 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ ALKBH1 Q13686 1/20 0.41
▸ PARP15 Q460N3 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ EGLN1 Q9GZT9 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
SCHEMBL30739125 0.94 KLKB1 (0.53) KLKB1ITKCYP19A1SCDEGLN2
SCHEMBL31591059 0.88 KLKB1 (0.52) KLKB1ITKSCDERCC5ALKBH1
SCHEMBL31591068 0.84 KLKB1 (0.45) KLKB1ITKCYP19A1SCDEGLN2
SCHEMBL30730357 0.84 HSD17B10 (0.57) KLKB1ITKCYP19A1SCDEGLN2
SCHEMBL31591060 0.83 KDM4E (0.49) KLKB1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL27364042 0.83 KLKB1 (0.54) KLKB1ITKCYP19A1SCDKDM4E
SCHEMBL31591078 0.82 KLKB1 (0.43) KLKB1ITKSCDEGLN2KDM4E
SCHEMBL30739056 0.82 KLKB1 (0.50) KLKB1ITKCYP19A1SCDALDH1A1
SCHEMBL30739106 0.81 KLKB1 (0.73) KLKB1ITKEGLN2
SCHEMBL31591066 0.81 KDM4E (0.44) KLKB1KDM4EALDH1A1HSD17B10LMNA

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-120051460-A Plasma kallikrein inhibitors 瑞泽路特有限公司 2025-05-27 — — CN disclosed
Send feedback