SCHEMBL7683523

SCHEMBL7683523

COCC1=NN=C(c2ccccc2Cl)[N]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7682799 0.81 HSD11B1 (0.38) DPP4DPP8HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL7674225 0.72 HSD11B1 (0.46) HSD11B1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL7825336 0.72 KDM4E (0.41) SMN1; SMN2ALDH1A1HPGDNPC1TP53
SCHEMBL7682971 0.67 POLB (0.31) POLB
SCHEMBL10363173 0.66 MAOB (0.56) HSD11B1CYP2A6
SCHEMBL7672929 0.66 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDNPC1KDM4E
SCHEMBL7683109 0.64 NPC1 (0.40) NPC1TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL17084672 0.64 DPP4 (0.65) DPP4ALDH1A1HPGDCASP3SENP8
SCHEMBL7675159 0.64 HPGDS (0.35) NPC1PKMRAB9A
SCHEMBL30377 0.63 IDO1 (0.61) SMN1; SMN2HPGDNPC1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed