SCHEMBL4775503

SCHEMBL4775503

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2snnc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MLLT1 Q03111 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ACKR3 P25106 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL4775302 0.94 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4772409 0.83 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4770201 0.82 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4765563 0.81 RAB9A (0.53) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4765111 0.81 HRH3 (0.46) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4768058 0.80 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4774510 0.80 RAB9A (0.57) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4768020 0.78 SLC2A1 (0.53) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4765905 0.78 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4765225 0.78 HRH3 (0.55) MAPTNPC1RAB9ASMN1; SMN2TP53

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed