SCHEMBL13273287

SCHEMBL13273287

Cc1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.62
▸ CTSS P25774 2/20 0.52
▸ KDM1A O60341 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ GRIN1 Q05586 3/20 0.49
▸ GRIN2B Q13224 3/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 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
SCHEMBL2733501 0.86 KIF11 (0.51) KMOCTSSKDM4EALDH1A1LMNA
SCHEMBL2788482 0.81 CCNT1 (0.63) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL11469890 0.81 KMO (0.62) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL16629561 0.81 KMO (0.58) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL21116043 0.81 CSNK1A1 (0.58) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL11467792 0.81 LMNA (0.58) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL2609384 0.81 KMO (0.58) KMOCTSSKDM1AKDM4EALDH1A1
SCHEMBL31301320 0.80 KDM4E (0.54) KDM4EALDH1A1IDO1LMNACDK2
SCHEMBL15888381 0.80 KDM4E (0.54) KDM4EALDH1A1IDO1LMNACDK2
SCHEMBL13692259 0.79 ABL1 (0.58) KMOCTSSKDM1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 — — US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 — — WO disclosed
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