SCHEMBL31350321

SCHEMBL31350321

CN(C)CCNC(=O)c1c(C(F)F)sc2cccc(OCc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KIFC1 Q9BW19 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCNT1 O60563 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
CCNA1 P78396 2/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL31350390 0.86 CYP1A2 (0.47) ALDH1A1KIFC1MRGPRX4CYP1A2CYP2D6
SCHEMBL31350326 0.85 MEN1 (0.43) ALDH1A1KMT2ASMN1; SMN2F9F10
SCHEMBL31350355 0.83 SLC6A5 (0.51) KMT2AKDM4ELMNA
SCHEMBL31350393 0.81 FOLH1 (0.46) MRGPRX4HPGDKMT2ASMN1; SMN2F9
SCHEMBL30656349 0.80 ALOX5 (0.52) ALDH1A1CYP1A2CYP2D6ALOX5KMT2A
SCHEMBL31350362 0.80 SGMS2 (0.40) HPGDKMT2ASMN1; SMN2LMNAABCG2
SCHEMBL31350382 0.79 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAABCB1ABCG2
SCHEMBL31350332 0.79 MEN1 (0.42) ALDH1A1KMT2AKDM4ESGMS2
SCHEMBL31350343 0.78 HTR3A (0.47) ALDH1A1KMT2ASGMS2
SCHEMBL31350331 0.77 HTR3A (0.46) ALDH1A1KMT2ASGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed