SCHEMBL9028109

SCHEMBL9028109

N=C(CCc1ccc(Cc2c[nH]cn2)cc1)NCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.39
PLAAT5 Q96KN8 2/20 0.39
PLAAT2 Q9NWW9 2/20 0.39
PLAAT4 Q9UL19 2/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.35
PKM P14618 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL9079252 0.92 PLAAT3 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL6972170 0.88 KMT2A (0.38) KMT2AMEN1LMNAPKMCYP2C9
SCHEMBL14077916 0.86 HDAC1 (0.40) LMNAFFAR1
SCHEMBL6968642 0.83 POLB (0.40) KMT2AMEN1LMNAPKMCYP2C9
SCHEMBL9081222 0.82 KMT2A (0.37) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL9078769 0.81 CYP19A1 (0.36) KMT2AMEN1LMNAPKMCYP2C9
SCHEMBL6970271 0.79 HRH4 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL11047959 0.79 HSP90AB1 (0.47) LMNAALDH1A1
SCHEMBL6960067 0.78 MEN1 (0.56) KMT2AMEN1LMNACYP2C9CYP2C19
SCHEMBL6961677 0.78 MEN1 (0.56) KMT2AMEN1LMNACYP2C9CYP2C19

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-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed