SCHEMBL9842635

SCHEMBL9842635

O=C(Nc1ncccc1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
HTT P42858 1/20 0.64
DHODH Q02127 2/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
ATM Q13315 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KDR P35968 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
SCD O00767 1/20 0.49
PABPC1 P11940 1/20 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
SCHEMBL3820618 0.89 HTT (0.66) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL18640733 0.86 HTT (0.63) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL18640735 0.86 HTT (0.63) RAB9ANPC1HTTALDH1A1HPGD
SCHEMBL8693733 0.83 DHODH (0.57) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL18640732 0.83 HTT (0.76) RAB9ANPC1HTTALDH1A1HPGD
SCHEMBL8695054 0.82 DHODH (0.50) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL8569303 0.82 DHODH (0.50) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL8694084 0.81 DHODH (0.76) RAB9ANPC1HTTDHODHALDH1A1
SCHEMBL30648563 0.80 RAB9A (0.88) RAB9ANPC1HTTATMKMT2A
SCHEMBL27332905 0.80 HTT (0.53) RAB9ANPC1HTTDHODHALDH1A1

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-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP disclosed