SCHEMBL29934005

SCHEMBL29934005

c1cncc(NC2COC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GRM5 P41594 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SIGLEC9 Q9Y336 2/20 0.40
LATS1 O95835 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
OGA O60502 1/20 0.39

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
SCHEMBL29699681 0.82 DDB1 (0.51) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL1098110 0.82 DDB1 (0.51) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL27863561 0.79 ALDH1A1 (0.55) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL27494294 0.78 ALDH1A1 (0.60) DDB1CRBNALDH1A1GRM5POLB
Hydrochloric Acid SCHEMBL21640127 0.76 DDB1 (0.47) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL19468965 0.76 LATS1 (0.44) LATS1
SCHEMBL29915272 0.76 ALDH1A1 (0.42) DDB1CRBNALDH1A1CYP1A2CYP2C9
SCHEMBL25041437 0.75 KDM1A (0.52) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL30279152 0.75 KDM1A (0.52) DDB1CRBNALDH1A1GRM5POLB
SCHEMBL5241748 0.75 ALDH1A1 (0.55) DDB1CRBNALDH1A1GRM5POLB

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-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed