SCHEMBL6201594

SCHEMBL6201594

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCCCN3CCOCC3)cc(F)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.42
POLA1 P09884 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KLK7 P49862 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6200360 0.95 TP53 (0.43) KMT2ALMNANPSR1TP53POLA1
SCHEMBL6199188 0.89 SLC2A1 (0.41) TP53
SCHEMBL6197524 0.88 KMT2A (0.50) KMT2ALMNANPSR1POLA1ALDH1A1
SCHEMBL6201234 0.85 MCL1 (0.42) LMNAPOLA1ALDH1A1CYP3A4CYP2D6
SCHEMBL6202413 0.85 MCL1 (0.43) LMNATP53POLA1ALDH1A1CYP3A4
SCHEMBL6202657 0.84 LMNA (0.42) KMT2ALMNATP53ALDH1A1MEN1
SCHEMBL6195950 0.84 LMNA (0.53) KMT2ALMNATP53ALDH1A1RXFP1
SCHEMBL6199253 0.84 MCL1 (0.44) KMT2ALMNANPSR1TP53POLA1
SCHEMBL6201656 0.84 MCL1 (0.44) KMT2ALMNANPSR1TP53MEN1
SCHEMBL6199074 0.84 MCL1 (0.44) LMNANPSR1TP53POLA1ALDH1A1

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