SCHEMBL9665296

SCHEMBL9665296

O=C(c1ccccc1)c1ccc2nc(CSc3ccccn3)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
LMNA P02545 2/20 0.62
ABL1 P00519 4/20 0.56
FABP6 P51161 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
METAP1 P53582 1/20 0.47
ESR1 P03372 1/20 0.47
HTT P42858 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDR P35968 1/20 0.47
HIF1A Q16665 1/20 0.47
APEX1 P27695 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
SCHEMBL9665287 0.91 RAB9A (0.62) RAB9ANPC1LMNAABL1FABP6
SCHEMBL9665274 0.87 SMN1; SMN2 (0.55) RAB9ANPC1LMNAABL1FABP6
SCHEMBL9665189 0.85 RAB9A (0.60) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL9665328 0.83 ALDH1A1 (0.55) RAB9ALMNAABL1FABP6SMN1; SMN2
SCHEMBL9665262 0.79 RAB9A (0.46) RAB9ANPC1LMNAABL1FABP6
SCHEMBL9665138 0.79 RAB9A (0.71) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL9667102 0.79 RAB9A (0.71) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL10770224 0.79 NPC1 (0.64) RAB9ANPC1LMNASMN1; SMN2POLB
SCHEMBL11277575 0.78 NPSR1 (0.72) RAB9ALMNAABL1FABP6SMN1; SMN2
SCHEMBL9667367 0.78 SMN1; SMN2 (0.54) RAB9ANPC1LMNAABL1FABP6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP claimed
EP-0234980-B1 2-BENZIMIDAZOLYLALKYLTHIO (OR SULFINYL OR SULFONYL) DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-09-16 EP disclosed
US-4791114-A GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; CYTOPROTECTIVE AGENTS 501 Laboratorios Del, Dr. Esteve (ES) 1988-12-13 US disclosed
EP-0234980-A1 2-Benzimidazolylalkylthio (or sulfinyl or sulfonyl) derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-09-02 EP disclosed