SCHEMBL9011583

SCHEMBL9011583

CO/N=C/C(c1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MIF P14174 2/20 0.32
RIPK1 Q13546 2/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL9011584 1.00 KMT2A (0.36) KMT2AMIFRIPK1MAPTALDH1A1
SCHEMBL12756966 0.73 KMT2A (0.41) KMT2AMIFRIPK1MAPTALDH1A1
SCHEMBL7500324 0.72 DPP4 (0.39) KMT2AMIFALDH1A1LMNA
SCHEMBL9654062 0.69 GRIN2D (0.44)
SCHEMBL1225030 0.69 CYP2D6 (0.39) KMT2ALMNAMAPK1
SCHEMBL10415149 0.69 HTR2A (0.36) MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL9011811 0.68 GRIN2D (0.46)
SCHEMBL9016418 0.68 CYP1A2 (0.47) KMT2AMAPTALDH1A1LMNAMAPK1
SCHEMBL3249480 0.67 HTR2A (0.34) ALDH1A1LMNA
SCHEMBL7715366 0.65 NPSR1 (0.43) KMT2AALDH1A1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494934-A ANTIDEPRESSANTS, HYPOTENSIVE AGENTS ADIR ET COMPAGNIE (FR) 1996-02-27 US disclosed
US-5296498-A Guanidine compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
EP-0488897-A1 New guanidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-03 EP disclosed