SCHEMBL16623290

SCHEMBL16623290

Cc1cc(=O)oc2cc(N(N)C(=O)OCc3ccc(-c4ccco4)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 8/20 0.43
IGLV6-57 P01721 5/20 0.43
HPGD P15428 5/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 2/20 0.41
RAB9A P51151 2/20 0.41
SENP8 Q96LD8 2/20 0.41

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
SCHEMBL118223 0.80 KDM4E (0.62) KMT2AF2ALDH1A1HPGDGLA
SCHEMBL16623269 0.72 ALDH1A1 (0.42) KMT2AALDH1A1IGLV6-57HPGDGLA
SCHEMBL16623286 0.71 MAOB (0.56) KMT2AALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10337820 0.67 ALDH1A1 (0.68) KMT2AALDH1A1IGLV6-57HPGDGLA
SCHEMBL20273292 0.65 RAB9A (0.62) KMT2AF2ALDH1A1IGLV6-57HPGD
SCHEMBL20163089 0.64 KDM4E (0.49) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL25054015 0.64 KMT2A (1.00) KMT2AF2ALDH1A1IGLV6-57HPGD
SCHEMBL25055364 0.64 KMT2A (0.65) KMT2AF2ALDH1A1IGLV6-57HPGD
Ammonia Solution, Strong SCHEMBL21835777 0.63 KDM4E (0.48) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL11888139 0.63 KDM4E (0.74) KMT2AALDH1A1HPGDGLACASP1

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed