SCHEMBL9656174

SCHEMBL9656174

CCCCN=NNc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 2/20 0.42
KYAT1 Q16773 1/20 0.40
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX12 P18054 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1887617 0.83 SCN5A (0.40) SMN1; SMN2KYAT1ALDH1A1TDP1GAA
SCHEMBL7343923 0.83 SCN5A (0.40) SMN1; SMN2KYAT1ALDH1A1TDP1GAA
SCHEMBL9655458 0.76 EPHX1 (0.41) ALDH1A1TDP1GAAMEN1KMT2A
SCHEMBL9655455 0.76 EPHX1 (0.41) ALDH1A1TDP1GAAMEN1KMT2A
SCHEMBL1278627 0.73 MAPT (0.40) SMN1; SMN2LMNAKYAT1ALDH1A1TDP1
SCHEMBL1278625 0.73 MAPT (0.40) SMN1; SMN2LMNAKYAT1ALDH1A1TDP1
SCHEMBL9655167 0.70 SCN5A (0.34) SMN1; SMN2LMNAKYAT1ALDH1A1TDP1
SCHEMBL7911594 0.70 TDP1 (0.50) SMN1; SMN2LMNAALDH1A1TDP1GAA
SCHEMBL7793224 0.68 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1TDP1GAA
SCHEMBL7793228 0.68 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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-5099016-A Mitomycin analogs containing 7-alkoxy groups and disulfides as antibiotics BRISTOL-MYERS COMPANY (US) 1992-03-24 US disclosed
US-5097036-A Mitomycin analogs; antibiotics antitumor agents BRISTOL-MYERS COMPANY (US) 1992-03-17 US disclosed
US-4927943-A ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1990-05-22 US disclosed
US-4814445-A ETHERIFICATION, ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-03-21 US disclosed