SCHEMBL6202555

SCHEMBL6202555

O=C(NCc1ccc(Cl)cc1)c1cnc2c(CN3CCOCC3)cccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
KCNH2 Q12809 5/20 0.49
ALDH1A1 P00352 1/20 0.48
POLA1 P09884 2/20 0.47
TP53 P04637 1/20 0.46
HTR2C P28335 1/20 0.46
MCHR1 Q99705 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
MLLT1 Q03111 1/20 0.44
METAP2 P50579 1/20 0.44

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
SCHEMBL6200655 0.88 KCNH2 (0.48) RXFP1KCNH2ALDH1A1POLA1TP53
SCHEMBL6733213 0.84 ALDH1A1 (0.51) RXFP1KCNH2ALDH1A1POLA1TP53
SCHEMBL6202284 0.83 EGLN1 (0.54) ALDH1A1POLA1EGLN1
SCHEMBL6726994 0.83 KCNH2 (0.55) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6200011 0.83 KCNH2 (0.53) RXFP1KCNH2ALDH1A1POLA1TP53
SCHEMBL6770778 0.83 KCNH2 (0.53) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6201283 0.82 KCNH2 (0.54) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6692811 0.82 KCNH2 (0.51) RXFP1KCNH2ALDH1A1POLA1
SCHEMBL6606941 0.81 POLA1 (0.53) RXFP1KCNH2ALDH1A1POLA1MLLT1
SCHEMBL6198755 0.81 POLA1 (0.57) ALDH1A1POLA1EGLN1

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