SCHEMBL28792139

SCHEMBL28792139

CCCC(=N)Cc1ccc2sc(N3CCN(C(C)C)CC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OGA O60502 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3468780 0.80 OGA (0.44) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL27756983 0.78 HRH3 (0.61) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL3468795 0.78 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL3468783 0.77 HRH3 (0.59) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL3469499 0.74 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL14403537 0.74 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL3468716 0.72 NPC1 (0.56) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL3468608 0.71 HRH3 (0.41) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL3468828 0.71 DPP4 (0.46) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL3468880 0.71 OGA (0.44) RAB9ANPC1MAPTSMN1; SMN2CYP1A2

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
CN-101410385-B Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS LLC 2011-08-24 CN claimed