SCHEMBL24285337

SCHEMBL24285337

CCCNC(=O)COc1ccc(C(=O)NC)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.63
TSHR P16473 2/20 0.52
RECQL P46063 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL14221228 0.81 HDAC1 (0.70) TSHRRECQLSMN1; SMN2HPGDALDH1A1
SCHEMBL9326104 0.81 TSHR (0.57) TSHRRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL22192209 0.81 RAB9A (0.55) TSHRSMN1; SMN2ALDH1A1CYP1A2RAB9A
SCHEMBL10387988 0.81 ALDH1A1 (0.64) TSHRRECQLSMN1; SMN2HPGDALDH1A1
SCHEMBL10475269 0.80 RECQL (0.71) TSHRRECQLHTTSMN1; SMN2HPGD
SCHEMBL10474315 0.79 ITGB3 (0.54) TSHRRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL17308837 0.79 KDM4E (0.58) TSHRRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL11962158 0.78 PLK1 (1.00) PLK1TSHRHTTSMN1; SMN2HPGD
SCHEMBL12839873 0.78 PLK1 (0.87) PLK1TSHRHTTSMN1; SMN2HPGD
SCHEMBL2555132 0.78 ALDH1A1 (0.59) TSHRRECQLSMN1; SMN2ALDH1A1CYP1A2

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
WO-2022052014-A1 CLASS OF PLATINUM COMPOUNDS FOR TREATING CANCER, AND METHOD FOR PREPARATION THEREOF 上海海聚生物科技有限公司 2022-03-17 WO disclosed