SCHEMBL9728419

SCHEMBL9728419

C1=NCN(c2ccccc2)CN1Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 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
SCHEMBL7171966 0.70 GFER (0.59) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL9728352 0.69 SMN1; SMN2 (0.40) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL9728456 0.68 TDP1 (0.35) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL574986 0.67 NPSR1 (0.38) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL7553199 0.64 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTHTTNPSR1
SCHEMBL9728417 0.61 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTNPSR1KMT2A
SCHEMBL13740362 0.61 HDAC3 (0.41) L3MBTL1ALDH1A1MAPTKDM4ELMNA
SCHEMBL17157069 0.59 SMN1; SMN2 (0.55) ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL6695193 0.58 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL31670698 0.58 SIGMAR1 (0.55) ALDH1A1MAPTKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098926-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1992-03-24 US disclosed
US-4888341-A 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-12-19 US disclosed