SCHEMBL6200655

SCHEMBL6200655

O=C(NCc1ccc(Cl)cc1)c1cnc2c(CN3CCOCC3)cc(F)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
POLA1 P09884 2/20 0.46
HTR2C P28335 1/20 0.44
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.43
F10 P00742 1/20 0.42
MLLT1 Q03111 1/20 0.42
LMNA P02545 1/20 0.42
METAP2 P50579 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
SCHEMBL6202555 0.88 RXFP1 (0.49) KCNH2TP53RXFP1POLA1HTR2C
SCHEMBL6200011 0.87 KCNH2 (0.53) KCNH2TP53RXFP1POLA1ALDH1A1
SCHEMBL6200784 0.85 TP53 (0.49) KCNH2TP53RXFP1POLA1LMNA
SCHEMBL6204261 0.84 TP53 (0.45) KCNH2TP53RXFP1POLA1ALDH1A1
SCHEMBL6201600 0.84 EGLN1 (0.47) TP53POLA1LMNA
SCHEMBL6726994 0.83 KCNH2 (0.55) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6770778 0.83 KCNH2 (0.53) KCNH2RXFP1POLA1ALDH1A1F10
SCHEMBL6195950 0.83 LMNA (0.53) TP53RXFP1ALDH1A1LMNA
SCHEMBL6733213 0.83 ALDH1A1 (0.51) KCNH2TP53RXFP1POLA1ALDH1A1
SCHEMBL6200360 0.82 TP53 (0.43) KCNH2TP53RXFP1POLA1ALDH1A1

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