SCHEMBL9313957

SCHEMBL9313957

N=C(N)Cc1cc(O)cc(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PRKCE Q02156 3/20 0.34
▸ MYLK Q15746 2/20 0.34
▸ APEX1 P27695 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL9313082 0.83 MEN1 (0.37) MEN1KMT2APRKCEMYLKAPEX1
SCHEMBL9313037 0.76 LMNA (0.39) MEN1KMT2APRKCEMYLKAPEX1
SCHEMBL9312477 0.75 EGFR (0.44) TDP1ALDH1A1MAPTHTR1DHTR1B
SCHEMBL9313101 0.75 TYR (0.56) MEN1KMT2ATDP1MAPTTYR
SCHEMBL20838443 0.73 RECQL (0.56) MEN1KMT2AAPEX1RECQLTDP1
SCHEMBL9312501 0.71 HTR1D (0.44) MEN1KMT2AAPEX1RECQLTDP1
SCHEMBL9313910 0.71 MEN1 (0.48) MEN1KMT2AAPEX1RECQLTDP1
SCHEMBL9312616 0.71 HTR3E (0.44) MEN1KMT2AAPEX1RECQLTDP1
SCHEMBL9312564 0.71 LMNA (0.44) RECQLTDP1ALDH1A1HTR3EHTR3B
SCHEMBL66559 0.70 ACHE (0.42) MEN1KMT2APRKCEMYLKAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 — — US disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 — — US disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 — — US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 — — US disclosed
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