SCHEMBL11262084

SCHEMBL11262084

CCOC(=O)c1c2sc(NC(=O)CN(CC)CC)nc2c(C)c2nc(NC(=O)CN(CC)CC)sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ LMNA P02545 6/20 0.49
▸ NPSR1 Q6W5P4 5/20 0.49
▸ TSHR P16473 3/20 0.49
▸ ATM Q13315 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 10/20 0.45
▸ HPGD P15428 7/20 0.45
▸ MAPT P10636 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GAA P10253 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11259854 0.91 SMN1; SMN2 (0.52) SMN1; SMN2LMNANPSR1TSHRATM
SCHEMBL11253904 0.83 MAPT (0.49) SMN1; SMN2LMNATSHRKDM4EALDH1A1
SCHEMBL11259222 0.79 NPC1 (0.49) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL11262078 0.78 ALDH1A1 (0.51) SMN1; SMN2LMNANPSR1TSHRATM
SCHEMBL11261115 0.75 MAPT (0.51) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL11270839 0.74 MAPT (0.45) SMN1; SMN2LMNANPSR1TSHRKDM4E
SCHEMBL11266789 0.72 MAPT (0.46) SMN1; SMN2LMNANPSR1TSHRKDM4E
SCHEMBL11262589 0.72 MAPT (0.48) SMN1; SMN2LMNANPSR1TSHRALDH1A1
SCHEMBL11271738 0.72 MAPT (0.48) SMN1; SMN2LMNANPSR1TSHRALDH1A1
SCHEMBL11269297 0.71 SMN1; SMN2 (0.47) SMN1; SMN2LMNATSHRALDH1A1HPGD

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
Send feedback