SCHEMBL17826401

SCHEMBL17826401

C=C(OC)c1ccsc1NC(=O)CSc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PABPC1 P11940 1/20 0.46

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
SCHEMBL17826649 0.88 POLB (0.48) RAB9AL3MBTL1POLBALDH1A1TP53
SCHEMBL4752214 0.87 L3MBTL1 (0.66) RAB9AL3MBTL1POLBALDH1A1LMNA
SCHEMBL4751453 0.76 L3MBTL1 (0.64) RAB9AL3MBTL1POLBALDH1A1TP53
SCHEMBL4751921 0.76 L3MBTL1 (0.54) RAB9AL3MBTL1POLBALDH1A1MEN1
SCHEMBL4752200 0.75 RAB9A (0.52) RAB9APOLBALDH1A1TP53LMNA
SCHEMBL4749608 0.75 NPC1 (0.67) RAB9AL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4753019 0.75 ALDH1A1 (0.53) RAB9AL3MBTL1POLBALDH1A1MEN1
SCHEMBL4751819 0.75 NPC1 (0.56) RAB9AL3MBTL1POLBALDH1A1TP53
SCHEMBL4752199 0.75 SMN1; SMN2 (0.51) RAB9AL3MBTL1POLBALDH1A1LMNA
SCHEMBL4753022 0.74 KDM4E (0.63) RAB9AL3MBTL1ALDH1A1MEN1KMT2A

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-9364468-B2 Pharmaceutical composition for preventing or treating tuberculosis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-14 US disclosed