SCHEMBL8714752

SCHEMBL8714752

O=C1Nc2ccc3ccccc3c2CCC1(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 3/20 0.38
PAX8 Q06710 1/20 0.37
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
ANPEP P15144 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
SCHEMBL8944351 0.76 CYP2C19 (0.47) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL8715073 0.75 TP53 (0.40) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL3050070 0.73 MAPT (0.50) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL29124061 0.70 CDK5 (0.47) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL7426931 0.70 NPC1 (0.53) KDM4EALDH1A1MAPT
SCHEMBL1287805 0.69 CYP11B1 (0.47) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL8713911 0.69 ANPEP (0.44) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
Sulfuric Acid SCHEMBL8944460 0.68 PKM (0.43) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL8717493 0.68 ANPEP (0.43) KDM4ECYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL582334 0.66 NOTUM (0.46) KDM4ECYP1A2HPGDCYP2C19ALDH1A1

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-5817654-A STIMULATE GROWTH HORMONES NOVO NORDISK A/S (DK) 1998-10-06 US disclosed
EP-0777668-A1 NOVEL N-SUBSTITUTED NAPHTHOFUSED LACTAMS NOVO NORDISK A/S (DK) 1997-06-11 EP disclosed
WO-1996005195-A1 NOVEL N-SUBSTITUTED NAPHTHOFUSED LACTAMS NOVO NORDISK A/S (DK) 1996-02-22 WO disclosed