SCHEMBL17952671

SCHEMBL17952671

c1ccc(-c2nnc(-c3ccccc3-c3ccccc3N(c3ccccc3)c3ccccc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.53
NPC1 O15118 13/20 0.53
SMN1; SMN2 Q16637 9/20 0.53
HPGD P15428 9/20 0.53
ALDH1A1 P00352 9/20 0.53
TSHR P16473 4/20 0.53
KDM4E B2RXH2 6/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
ATAD2 Q6PL18 2/20 0.46
MECP2 P51608 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 4/20 0.44

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
SCHEMBL17951758 0.94 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL17951552 0.91 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL14466390 0.91 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL21311964 0.87 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL14489965 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL14465398 0.86 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL13427011 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL14465409 0.83 NPC1 (0.61) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL175637 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL21311965 0.83 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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
WO-2016116508-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed