SCHEMBL12964599

SCHEMBL12964599

CCNCc1cn(-c2ccc(Nc3ccc(OC(F)(F)F)cc3)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 9/20 0.54
▸ GRIN1 Q05586 9/20 0.54
▸ GRIN2B Q13224 9/20 0.54
▸ NOTUM Q6P988 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL12964681 0.86 P2RX7 (0.58) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL12766882 0.83 RXRA (0.53) RXRAGRIN1GRIN2BNOTUMFLT1
SCHEMBL12964509 0.78 KDM1A (0.48) NOTUMP2RX7MAPT
SCHEMBL1525984 0.76 RXRA (0.45) RXRAGRIN1GRIN2BFLT1KDR
SCHEMBL19514072 0.75 RXRA (0.64) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL19211427 0.75 NOTUM (0.67) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL21611991 0.72 CYP3A4 (0.78) RXRAGRIN1GRIN2BCYP3A4CYP2C19
SCHEMBL19219450 0.70 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL18028308 0.70 RXRA (0.57) RXRAGRIN1GRIN2BNOTUMFLT1
SCHEMBL1499552 0.70 NOTUM (0.49) RXRAGRIN1GRIN2BNOTUMKCNH2

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
WO-2012131656-A2 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY SOCIÉTÉ SPLICOS (FR) 2012-10-04 — — WO disclosed
EP-2505198-A1 Compounds for use as therapeutic agents affecting p53 expression and/or activity Société Splicos (FR) 2012-10-03 — — EP disclosed
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