SCHEMBL31607759

SCHEMBL31607759

Cc1c(C(=O)O)cc2n1CCN(CCN)C2=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 7/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2D6 P10635 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL27137689 0.85 MAPT (0.41) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL27149259 0.83 HRH3 (0.34) CYP2D6HRH3
SCHEMBL31607768 0.81 NOTUM (0.34) NOTUMALDH1A1
SCHEMBL31607754 0.67 NOTUM (0.37) NOTUMALDH1A1CYP2D6HRH3
SCHEMBL27153922 0.67 MAPT (0.41) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL27146271 0.67 ITGB3 (0.35) ALDH1A1HRH3
SCHEMBL10415743 0.65 NOTUM (0.57) NOTUMALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL27148750 0.65 OPRK1 (0.33) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8175432 0.63 ITGB3 (0.40) ALDH1A1KDM4ECYP2D6
SCHEMBL880547 0.62 ALOX15 (0.33) —

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-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
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