SCHEMBL11527809

SCHEMBL11527809

CCNC(=O)N(SCc1ccccc1)SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RIPK1 Q13546 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL11530298 0.84 KMT2A (0.48) KMT2AL3MBTL1OPRM1OPRL1HPGD
SCHEMBL11530105 0.80 GAA (0.48) L3MBTL1HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3065468 0.77 IDO1 (0.42) HPGDALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL8728754 0.76 CYP2C19 (0.47) HPGDLMNAPKMNPC1RAB9A
SCHEMBL11527978 0.74 OPRM1 (0.44) KMT2AL3MBTL1OPRM1OPRL1HPGD
SCHEMBL22559961 0.74 ALDH1A1 (0.61) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL27306094 0.74 L3MBTL1 (0.54) KMT2AL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL967460 0.72 NPC1 (0.62) KMT2AOPRM1OPRL1HPGDSMN1; SMN2
SCHEMBL11524885 0.72 LMNA (0.47) KMT2AL3MBTL1OPRM1OPRL1HPGD
SCHEMBL11255144 0.71 ALDH1A1 (0.40) ALDH1A1LMNAGAAPKMNPC1

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
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed