SCHEMBL2490229

SCHEMBL2490229

COc1ccccc1NCn1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ RPS6KA3 P51812 1/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ SLC9A1 P19634 6/20 0.51
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 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
SCHEMBL2488627 0.81 CYP1A2 (0.59) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL2491779 0.78 SLC9A1 (0.57) RPS6KA3CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2490331 0.78 RPS6KA3 (0.60) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL19154177 0.77 SLC9A1 (0.59) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL31267895 0.77 RPS6KA3 (0.68) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL2491190 0.77 RPS6KA3 (0.68) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL29396255 0.75 RPS6KA3 (0.53) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL886827 0.75 RPS6KA3 (0.53) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL4083657 0.75 SLC9A1 (0.65) NPC1RAB9ARPS6KA3CYP1A2CYP2C9
SCHEMBL9618157 0.75 RPS6KA3 (0.84) NPC1RAB9ARPS6KA3CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 — — US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 — — EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 — — WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 — — US disclosed
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