SCHEMBL4569980

SCHEMBL4569980

O=C(O)c1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 1/20 0.72
▸ AURKA O14965 4/20 0.67
▸ AURKB Q96GD4 1/20 0.67
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ GSK3B P49841 5/20 0.61
▸ GSK3A P49840 4/20 0.61
▸ CAMK2D Q13557 1/20 0.60
▸ ATM Q13315 1/20 0.58
▸ PIN1 Q13526 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPK13 O15264 1/20 0.55
▸ MAPK12 P53778 1/20 0.55
▸ MAPK11 Q15759 1/20 0.55
▸ MAPK14 Q16539 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL1023029 0.94 NPC1 (0.71) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL29874885 0.92 NPC1 (0.69) RHOAAURKAAURKBNPC1RAB9A
4-Phenylamino Benzoic Acid SCHEMBL70190 0.86 MAPK13 (0.72) AURKAAURKBATMMAPTMEN1
SCHEMBL9479471 0.86 MAPK13 (0.72) AURKAAURKBATMMAPTMEN1
SCHEMBL12998766 0.85 GAA (0.61) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL17212282 0.85 NPC1 (0.68) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL5885121 0.85 NPC1 (0.61) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL304437 0.85 POLB (0.63) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL18516810 0.85 NPC1 (0.68) RHOAAURKAAURKBNPC1RAB9A
SCHEMBL11758273 0.84 RHOA (0.54) RHOAAURKAAURKBNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8226761-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-07-24 — — US disclosed
US-20120118205-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. 2012-05-17 — — US disclosed
US-8118924-B2 Self-dispersed pigments and methods for making and using the same SENSIENT COLORS LLC (US) 2012-02-21 — — US disclosed
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