SCHEMBL9718852

SCHEMBL9718852

c1ccc(Nc2nc3ccccc3n2Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.63
HSD17B10 Q99714 2/20 0.59
GAA P10253 3/20 0.52
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
USP2 O75604 1/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
LCK P06239 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 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
SCHEMBL28837686 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL28837689 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20715329 0.75 HSD17B10 (1.00) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL28107466 0.71 KLK5 (0.42) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20433846 0.71 GAA (0.70) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL2359465 0.70 CYP1A2 (0.68) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20433766 0.69 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20565860 0.69 HDAC3 (0.70) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL19770312 0.69 TP53 (0.54) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL20715331 0.68 DRD2 (0.69) RAB9ANPC1SMN1; SMN2TP53POLB

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
US-5151472-A Dissolving polyetherimides in a solvent, adding a dianhydride and a diamine, reacting to form a polyamic acid and cyclizing to form a polyimide GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) 1992-09-29 US disclosed