SCHEMBL2490331

SCHEMBL2490331

Clc1ccccc1NCn1nnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.60
▸ SLC9A1 P19634 6/20 0.53
▸ GRM2 Q14416 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 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
▸ POLB P06746 1/20 0.50
▸ MGAM O43451 3/20 0.49
▸ AMY1A P0DUB6 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ SI P14410 3/20 0.49
▸ MGAM2 Q2M2H8 3/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ MAPT P10636 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 0.81 CYP1A2 (0.59) RPS6KA3SLC9A1GRM2NPC1RAB9A
SCHEMBL2491779 0.79 SLC9A1 (0.57) RPS6KA3SLC9A1GRM2CYP1A2CYP2C9
SCHEMBL9618157 0.78 RPS6KA3 (0.84) RPS6KA3SLC9A1GRM2TDP1NPC1
SCHEMBL2490946 0.78 RPS6KA3 (0.73) RPS6KA3SLC9A1GRM2TDP1NPC1
SCHEMBL3403852 0.78 SLC9A1 (0.63) RPS6KA3SLC9A1GRM2TDP1NPC1
SCHEMBL2490229 0.78 NPC1 (0.59) RPS6KA3SLC9A1NPC1RAB9ACYP1A2
SCHEMBL2494163 0.77 RPS6KA3 (0.77) RPS6KA3SLC9A1GRM2TDP1NPC1
SCHEMBL29396255 0.76 RPS6KA3 (0.53) RPS6KA3SLC9A1NPC1RAB9ACYP1A2
SCHEMBL886827 0.76 RPS6KA3 (0.53) RPS6KA3SLC9A1NPC1RAB9ACYP1A2
SCHEMBL22375107 0.75 RPS6KA3 (1.00) RPS6KA3SLC9A1GRM2NPC1RAB9A

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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