SCHEMBL9667367

SCHEMBL9667367

Cc1cnc(SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 3/20 0.54
ABL1 P00519 4/20 0.48
FABP6 P51161 1/20 0.48
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
ABCC4 O15439 1/20 0.45
USP2 O75604 1/20 0.45
KDR P35968 1/20 0.45
HIF1A Q16665 1/20 0.45
METAP1 P53582 1/20 0.44
ESR1 P03372 1/20 0.43
XIAP P98170 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL9667358 0.92 SMN1; SMN2 (0.43) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665328 0.87 ALDH1A1 (0.55) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665274 0.81 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665335 0.79 ALDH1A1 (0.53) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665317 0.79 RAB9A (0.44) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665296 0.78 RAB9A (0.62) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL11277575 0.74 NPSR1 (0.72) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL4065084 0.73 ABL1 (0.64) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL9665262 0.73 RAB9A (0.46) SMN1; SMN2POLBALDH1A1HPGDRAB9A
SCHEMBL12909208 0.71 ALDH1A1 (1.00) SMN1; SMN2POLBALDH1A1HPGDRAB9A

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
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-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 claimed