SCHEMBL6200360

SCHEMBL6200360

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCCN3CCOCC3)cc(F)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
EPHX2 P34913 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KCNH2 Q12809 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLA1 P09884 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL6201594 0.95 KMT2A (0.46) TP53RXFP1KCNH2MEN1KMT2A
SCHEMBL6199188 0.93 SLC2A1 (0.41) TP53EPHX2NAMPT
SCHEMBL6200143 0.88 KMT2A (0.45) TP53EPHX2RXFP1KCNH2MEN1
SCHEMBL6202413 0.86 MCL1 (0.43) TP53LMNAPOLA1CYP2C19ALDH1A1
SCHEMBL6195950 0.86 LMNA (0.53) TP53RXFP1MEN1KMT2ALMNA
SCHEMBL6199074 0.85 MCL1 (0.44) TP53LMNANPSR1POLA1CYP2C19
SCHEMBL6199253 0.85 MCL1 (0.44) TP53MEN1KMT2ALMNANPSR1
SCHEMBL6201656 0.85 MCL1 (0.44) TP53MEN1KMT2ALMNANPSR1
SCHEMBL6201979 0.85 MCL1 (0.52) TP53MEN1KMT2ALMNAPOLA1
SCHEMBL6204261 0.84 TP53 (0.45) TP53EPHX2RXFP1KCNH2MEN1

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed