SCHEMBL7733433

SCHEMBL7733433

CC(=O)Nc1cc(O)c(O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 4/20 0.50
APOBEC3A P31941 1/20 0.50
GFER P55789 1/20 0.50
HDAC1 Q13547 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
POLB P06746 6/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NSD2 O96028 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.45
PARP14 Q460N5 2/20 0.43
TOP1 P11387 1/20 0.43

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
SCHEMBL8016584 0.86 RXFP1 (0.50) RXFP1KDM4EAPOBEC3AGFERHDAC1
SCHEMBL554438 0.84 ALDH1A1 (0.55) RXFP1KDM4EAPOBEC3AGFERHDAC1
SCHEMBL590479 0.78 RXFP1 (0.66) RXFP1KDM4EAPOBEC3AGFERHDAC1
SCHEMBL6746219 0.76 ALDH1A1 (0.59) RXFP1KDM4EHDAC1POLBMAPT
SCHEMBL9658677 0.76 KDM4E (0.51) RXFP1KDM4EAPOBEC3AGFERHDAC1
SCHEMBL8026725 0.75 KMT2A (0.49) RXFP1KDM4EPOLBMAPTNPC1
SCHEMBL1900214 0.74 RXFP1 (0.66) RXFP1KDM4EPOLBMAPTPKM
SCHEMBL1122552 0.74 TRPV1 (0.58) RXFP1KDM4EMAPTKMT2AMEN1
SCHEMBL5179041 0.74 POLB (0.65) KDM4EAPOBEC3AGFERHDAC1APOBEC3G
SCHEMBL9464673 0.74 CDC25B (0.55) RXFP1KDM4EAPOBEC3AGFERHDAC1

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
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed