SCHEMBL11535293

SCHEMBL11535293

CCCc1nnsc1C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ABCC8 Q09428 3/20 0.44
KCNJ11 Q14654 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
EPHX1 P07099 2/20 0.43
MLLT1 Q03111 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 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
SCHEMBL11543640 0.86 CA12 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1ABCC8
SCHEMBL11542476 0.83 TAS1R3 (0.46) ABCC8KCNJ11HPGDTAS1R3TAS1R1
SCHEMBL11536712 0.79 LMNA (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11538814 0.79 LMNA (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11535600 0.79 LMNA (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11537335 0.77 LMNA (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11538275 0.70 LMNA (0.50) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL11538234 0.66 NPC1 (0.52) NPC1RAB9AALDH1A1TAS1R3TAS1R1
SCHEMBL11535873 0.65 KMT2A (0.44) NPC1RAB9AALDH1A1LMNA
SCHEMBL3455901 0.64 LMNA (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed