SCHEMBL9079252

SCHEMBL9079252

N=C(CCc1ccc(CCc2c[nH]cn2)cc1)NCc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.40
PLAAT5 Q96KN8 2/20 0.40
PLAAT2 Q9NWW9 2/20 0.40
PLAAT4 Q9UL19 2/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 2/20 0.36
FFAR1 O14842 1/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9028109 0.92 PLAAT3 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL9081222 0.90 KMT2A (0.37) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL9029336 0.85 POLB (0.40) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL224352 0.81 DAO (0.41) KMT2AMEN1LMNAALDH1A1
SCHEMBL6973817 0.81 POLB (0.53) KMT2AMEN1LMNACYP2C19ALDH1A1
SCHEMBL6968562 0.81 POLB (0.53) KMT2AMEN1LMNACYP2C19ALDH1A1
SCHEMBL6972170 0.79 KMT2A (0.38) KMT2AMEN1LMNAPKMCYP2C9
Clobenpropit SCHEMBL8312286 0.77 HRH4 (0.40) KMT2AMEN1LMNAPKMCYP2C9
SCHEMBL14077916 0.77 HDAC1 (0.40) LMNAFFAR1
SCHEMBL9024637 0.76 ALDH1A1 (0.37) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A

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 1 patent. 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