SCHEMBL9667019

SCHEMBL9667019

[O-][S+](Cc1nc2cc(Cl)ccc2[nH]1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
CBFB Q13951 1/20 0.40
EGFR P00533 2/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
NR4A2 P43354 1/20 0.36
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
IDO1 P14902 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9665946 0.86 NPC1 (0.43) RAB9ANPC1POLBSMN1; SMN2METAP2
SCHEMBL9666973 0.84 NPC1 (0.51) RAB9ANPC1POLBSMN1; SMN2METAP2
SCHEMBL9667114 0.83 IDH1 (0.38) RAB9ANPC1TDP1POLBSMN1; SMN2
SCHEMBL9667203 0.82 SMN1; SMN2 (0.46) RAB9ANPC1TDP1POLBSMN1; SMN2
SCHEMBL9667049 0.82 CBFB (0.43) RAB9ANPC1CBFBLMNADRD4
SCHEMBL9668115 0.81 METAP2 (0.50) RAB9ANPC1TDP1POLBSMN1; SMN2
SCHEMBL9667018 0.81 RIPK1 (0.46) RAB9ANPC1TDP1POLBSMN1; SMN2
SCHEMBL9665723 0.80 RAB9A (0.42) RAB9ANPC1POLBSMN1; SMN2METAP1
SCHEMBL10772742 0.80 PPARG (0.40) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL9665954 0.79 KMT2A (0.52) RAB9ANPC1POLBSMN1; SMN2METAP2

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