SCHEMBL5023451

SCHEMBL5023451

O=C(c1ccccc1)N(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
RAB9A P51151 5/20 0.68
LMNA P02545 4/20 0.68
NPC1 O15118 4/20 0.68
TP53 P04637 1/20 0.68
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL8076003 0.86 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL28488116 0.84 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ALMNANPC1TP53
Hydrochloric Acid SCHEMBL28640787 0.82 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL12351738 0.81 RAB9A (1.00) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL10697633 0.81 RAB9A (0.69) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL5016960 0.76 MAPT (0.51) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL11727782 0.76 TSHR (0.49) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL21753481 0.75 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL5016950 0.75 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ALMNANPC1TP53
SCHEMBL16484012 0.74 NPC1 (0.51) SMN1; SMN2RAB9ALMNANPC1TP53

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-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed