SCHEMBL9518769

SCHEMBL9518769

NC(=O)CC(=O)Nc1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 2/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 4/20 0.55
HTT P42858 1/20 0.55
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
P2RX7 Q99572 1/20 0.51

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
SCHEMBL9311985 0.88 KMT2A (0.75) KMT2AMEN1KDM4ECYP1A2NPC1
SCHEMBL2169180 0.83 MEN1 (0.68) KMT2AMEN1KDM4ECYP1A2NPC1
SCHEMBL29389982 0.83 KMT2A (0.68) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL17434797 0.83 KMT2A (0.68) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL10138056 0.83 KDM1A (0.69) KMT2AMEN1KDM4ECYP1A2NPC1
SCHEMBL2175829 0.82 CYP1A2 (0.75) KMT2AMEN1KDM4ECYP1A2NPC1
SCHEMBL29537172 0.82 CYP1A2 (0.75) KMT2AMEN1KDM4ECYP1A2NPC1
SCHEMBL29554472 0.81 KMT2A (0.66) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL300285 0.81 KMT2A (0.66) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL6072206 0.81 KMT2A (0.70) KMT2AMEN1KDM4ECYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335046-B1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI CHEM IND (JP) 1993-12-01 EP disclosed
US-4904787-A CYCLIZATION USING POLYPHOSPHORIC ACID; NONHYDROLIZING, ONE STEP MITSUBISHI KASEI CORPORATION (JP) 1990-02-27 US disclosed
EP-0335046-A1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1989-10-04 EP disclosed