SCHEMBL6200416

SCHEMBL6200416

COc1ccc(CNS(=O)(=O)c2cc(F)cc3c(O)c(C(=O)NCc4ccc(Cl)cc4)cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MCL1 Q07820 1/20 0.46
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CNR2 P34972 1/20 0.43
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42
SLC2A1 P11166 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL6201979 0.93 MCL1 (0.52) LMNATP53ALDH1A1MCL1KDM4E
SCHEMBL6202196 0.92 SMN1; SMN2 (0.42) MAPTLMNATP53ALDH1A1MCL1
SCHEMBL6200211 0.89 MCL1 (0.48) LMNAALDH1A1MCL1CA2KDM4E
SCHEMBL6197449 0.89 MCL1 (0.48) LMNAALDH1A1MCL1KDM4EEGLN1
SCHEMBL6198581 0.89 MCL1 (0.48) MAPTLMNATP53ALDH1A1MCL1
SCHEMBL6199917 0.88 MCL1 (0.46) MAPTLMNAALDH1A1MCL1KDM4E
SCHEMBL6199967 0.87 CCR1 (0.46) LMNAMCL1EGLN1CNR2PTGER4
SCHEMBL6201548 0.87 P2RX1 (0.48) MAPTLMNAMCL1EGLN1CNR2
SCHEMBL6197457 0.87 KDM4E (0.49) MAPTLMNATP53ALDH1A1CA2
SCHEMBL6200195 0.86 MCL1 (0.43) LMNAMCL1SMN1; SMN2EGLN1CNR2

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