SCHEMBL9506095

SCHEMBL9506095

CCc1ccc(C(=S)NCCCOC)cc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
PTGER4 P35408 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 3/20 0.45
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9503158 0.81 ALDH1A1 (0.55) ALDH1A1PTGER4SMN1; SMN2NPC1ALOX12
SCHEMBL9675548 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL9361455 0.76 ALDH1A1 (0.57) ALDH1A1PTGER4SMN1; SMN2RAB9AHPGD
SCHEMBL9502336 0.76 GAA (0.44) ALDH1A1SMN1; SMN2NPC1ALOX12RAB9A
SCHEMBL9502131 0.76 GAA (0.44) ALDH1A1SMN1; SMN2NPC1ALOX12RAB9A
SCHEMBL9502757 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1ALOX12RAB9A
SCHEMBL9503835 0.72 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2NPC1ALOX12RAB9A
SCHEMBL9362336 0.71 MAPT (0.45) ALDH1A1SMN1; SMN2ALOX12HPGDMAPT
SCHEMBL11571129 0.71 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5164550 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed