SCHEMBL7475445

SCHEMBL7475445

CN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ITK Q08881 1/20 0.37
TTK P33981 1/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37
PIN1 Q13526 1/20 0.36
DYRK1A Q13627 2/20 0.35
WNT1 P04628 1/20 0.35
TSHR P16473 1/20 0.35
GALR3 O60755 1/20 0.35
MAPK14 Q16539 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7483549 0.88 HSP90AA1 (0.44) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL6672645 0.85 HSP90AA1 (0.42) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL6667497 0.84 HSP90AA1 (0.41) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL7015761 0.83 ALDH1A1 (0.41) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL6671405 0.82 HSP90AA1 (0.40) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL6672009 0.81 HSP90AA1 (0.39) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL6667774 0.80 CHEK1 (0.46) HSP90AA1NR1H4RAB9AALDH1A1NPC1
SCHEMBL7015592 0.78 HSP90AA1 (0.40) HSP90AA1NR1H4RAB9AALDH1A1HTT
SCHEMBL9909088 0.72 PRKAG1 (0.40) HTTKMT2ADYRK1AWNT1TSHR
SCHEMBL4932564 0.72 PRKAG1 (0.45) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO claimed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO disclosed