SCHEMBL9755394

SCHEMBL9755394

COc1cc2cc3c(Nc4ccccc4)c(OC)c(OC)c(CO)c3nc2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ NUDT1 P36639 1/20 0.41
▸ PDGFRB P09619 3/20 0.41
▸ PDGFRA P16234 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAP2K1 Q02750 3/20 0.40

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
SCHEMBL9755348 0.94 POLB (0.42) POLBRAD52NUDT1PDGFRBPDGFRA
SCHEMBL9755331 0.86 ACHE (0.39) POLBRAD52MAPTACHEKDM1A
SCHEMBL9755334 0.79 ACHE (0.38) POLBRAD52MAPTACHEKDM1A
SCHEMBL9755340 0.79 ACHE (0.38) POLBRAD52MAPTACHEKDM1A
SCHEMBL9755373 0.79 ACHE (0.39) POLBRAD52MAPTKDM4ETP53
SCHEMBL9755410 0.78 KDM1A (0.41) POLBRAD52PDGFRBPDGFRAMAPT
SCHEMBL9755411 0.77 POLB (0.47) POLBRAD52NUDT1PDGFRBPDGFRA
SCHEMBL9755402 0.73 KDM1A (0.43) POLBRAD52PDGFRBPDGFRAMAPT
SCHEMBL9755378 0.73 KDM1A (0.44) POLBRAD52PDGFRBPDGFRAMAPT
SCHEMBL9755380 0.73 POLB (0.47) POLBRAD52NUDT1PDGFRBPDGFRA

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
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 — — WO disclosed
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