SCHEMBL30280440

SCHEMBL30280440

Cc1nc2cccnc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 7/20 0.46
ELANE P08246 3/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SORD Q00796 1/20 0.39
FAAH O00519 1/20 0.39
DAGLA Q9Y4D2 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
SCHEMBL2667239 1.00 SGMS2 (0.46) SGMS2ELANEALDH1A1KDM4ENPC1
SCHEMBL13053003 0.77 SGMS2 (0.51) SGMS2ELANEALDH1A1KDM4ENPC1
SCHEMBL13052972 0.77 SGMS2 (0.51) SGMS2ELANEALDH1A1KDM4ENPC1
SCHEMBL1074019 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53
SCHEMBL5140187 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53
SCHEMBL29657370 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53
SCHEMBL845891 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53
SCHEMBL10278989 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53
SCHEMBL30988533 0.75 ELANE (0.44) SGMS2ELANEALDH1A1KDM4ENPC1
SCHEMBL30648204 0.75 ALDH1A1 (0.41) SGMS2ALDH1A1KDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed