SCHEMBL9402425

SCHEMBL9402425

COc1ccc(Nc2ncccc2CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
HTT P42858 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 3/20 0.58
MAPK1 P28482 2/20 0.54
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50

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
SCHEMBL9402419 0.85 MEN1 (0.63) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL1373989 0.82 PIK3CA (0.52) RAB9ANPC1HTTNPSR1ALDH1A1
SCHEMBL1375014 0.81 DHODH (0.56) RAB9ANPC1HTTNPSR1ALDH1A1
SCHEMBL9402356 0.80 DHODH (0.57) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL9402422 0.80 RAB9A (0.57) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL10681018 0.79 ALDH1A1 (0.52) RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL28142607 0.77 RAB9A (0.64) RAB9ANPC1HTTNPSR1ALDH1A1
SCHEMBL29384795 0.77 RAB9A (0.61) RAB9ANPC1HTTNPSR1ALDH1A1
SCHEMBL31451657 0.77 RAB9A (0.61) RAB9ANPC1HTTNPSR1ALDH1A1
SCHEMBL5322920 0.77 RAB9A (0.61) RAB9ANPC1HTTNPSR1ALDH1A1

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
US-5364860-A Naphthyridine compounds which inhibit tyrosine kinase and their pharmaceutical compositions LABORATOIRES UPSA (FR) 1994-11-15 US disclosed
US-4786642-A ANTIULCER SOCIETE ANONYME: CARPIBEM (FR) 1988-11-22 US disclosed