SCHEMBL9348563

SCHEMBL9348563

COCOc1ccc(C(=O)O)c(N)c1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CLCN2 P51788 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
NEK2 P51955 4/20 0.38
EGFR P00533 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
XDH P47989 1/20 0.37
CDC25B P30305 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.35
APEX1 P27695 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL700669 0.84 MAPT (0.66) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL855207 0.81 CTSV (0.54) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL9348401 0.78 G6PD (0.47) TDP1ALDH1A1CLCN2KDM4EEGFR
SCHEMBL29091618 0.77 MAPT (0.53) MAPTTDP1ALDH1A1KDM4ENEK2
SCHEMBL14907060 0.76 HSD17B10 (0.47) MAPTTDP1ALDH1A1KDM4ENEK2
SCHEMBL27143289 0.75 TDP1 (0.49) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL5925513 0.75 ALDH1A1 (0.68) MAPTTDP1ALDH1A1CLCN2KDM4E
SCHEMBL11556852 0.75 MAPT (0.50) MAPTTDP1ALDH1A1KDM4ENEK2
SCHEMBL23121012 0.74 MAPT (0.53) MAPTTDP1ALDH1A1KDM4EPTPN1
SCHEMBL29996551 0.74 MAPT (0.53) MAPTTDP1ALDH1A1KDM4EPTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed