SCHEMBL9665339

SCHEMBL9665339

Cc1ccnc(SCc2nc3ccc(C)cc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
POLB P06746 5/20 0.56
RAB9A P51151 8/20 0.55
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2B6 P20813 1/20 0.49

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
SCHEMBL9667096 0.90 KMT2A (0.52) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9665330 0.89 RAB9A (0.52) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9665290 0.88 RAB9A (0.69) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9665730 0.88 KMT2A (0.49) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9665257 0.88 CYP2E1 (0.52) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9667102 0.87 RAB9A (0.71) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9667456 0.87 NPBWR1 (0.47) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9668116 0.86 NPSR1 (0.54) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL9665176 0.86 RAB9A (0.44) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL10684447 0.84 RAB9A (0.43) KMT2APOLBRAB9ANPC1SMN1; SMN2

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
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