SCHEMBL2491779

SCHEMBL2491779

CCc1ccccc1NCn1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 7/20 0.57
▸ RPS6KA3 P51812 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 3/20 0.51
▸ KCNMA1 Q12791 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GRM2 Q14416 1/20 0.46
▸ APAF1 O14727 1/20 0.46

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 0.82 CYP1A2 (0.59) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL29396255 0.79 RPS6KA3 (0.53) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL886827 0.79 RPS6KA3 (0.53) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL2490331 0.79 RPS6KA3 (0.60) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL2490229 0.78 NPC1 (0.59) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL5421073 0.77 SLC9A1 (0.63) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL14953637 0.76 SLC9A1 (0.66) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL4083657 0.76 SLC9A1 (0.65) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL9618157 0.76 RPS6KA3 (0.84) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19
SCHEMBL3403852 0.76 SLC9A1 (0.63) SLC9A1RPS6KA3CYP1A2CYP2C9CYP2C19

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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