SCHEMBL6200376

SCHEMBL6200376

O=C(NCc1ccc(Cl)cc1)c1cnc2c(SCc3ccccc3)c(C(F)(F)F)ccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C1 P04150 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 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
SCHEMBL6200373 0.82 CNR2 (0.47) CNR2LMNAPOLBEGLN1ALDH1A1
SCHEMBL6200491 0.81 MAPK1 (0.46) CNR2LMNAEGLN1ALDH1A1RXFP1
SCHEMBL6200034 0.80 TP53 (0.46) CNR2LMNAEGLN1ALDH1A1RXFP1
SCHEMBL6196446 0.76 LMNA (0.51) CNR2LMNAPOLBEGLN1MAPT
SCHEMBL6198854 0.75 EGLN1 (0.54) CNR2LMNAEGLN1ALDH1A1MEN1
SCHEMBL6198524 0.75 EGLN1 (0.51) CNR2LMNAEGLN1ALDH1A1NR3C1
SCHEMBL6198610 0.75 EGLN1 (0.56) CNR2LMNAEGLN1ALDH1A1MEN1
SCHEMBL6198755 0.75 POLA1 (0.57) CNR2LMNAEGLN1ALDH1A1MEN1
SCHEMBL6202822 0.75 EGLN1 (0.51) CNR2LMNAPOLBEGLN1ALDH1A1
SCHEMBL6198915 0.75 EGLN1 (0.51) CNR2LMNAEGLN1ALDH1A1MEN1

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