SCHEMBL6199779

SCHEMBL6199779

COc1nc2ccc(CCCO)cc2c(O)c1C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
MAOB P27338 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6199600 0.78 EGLN1 (0.45) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15733262 0.75 MEN1 (0.56) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL6201569 0.72 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6199043 0.71 EGLN1 (0.45) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6195322 0.69 EGLN1 (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6200817 0.68 NR3C1 (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6692123 0.68 MAPT (0.46) MEN1KMT2AMAPT
SCHEMBL6288555 0.68 MEN1 (0.44) MEN1KMT2A
SCHEMBL6698557 0.68 SMN1; SMN2 (0.46) KMT2AMAPTALDH1A1
SCHEMBL6201571 0.68 SMN1; SMN2 (0.45) MEN1KMT2AMAPTCYP1A2CYP3A4

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