SCHEMBL6983102

SCHEMBL6983102

OCCc1cc(Cl)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
POLB P06746 3/20 0.42
RAD52 P43351 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.41
IGF1R P08069 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL20150846 0.88 POLB (0.44) KDM4EHTTUSP2MAOAMAOB
SCHEMBL3972718 0.87 KDM4E (0.50) KDM4EHTTUSP2MAOAMAOB
SCHEMBL17471655 0.82 KDM4E (0.46) KDM4EHTTUSP2MAOAMAOB
SCHEMBL6983097 0.82 KDM4E (0.46) KDM4EHTTUSP2MAOAMAOB
SCHEMBL27529063 0.81 KDM4E (0.50) KDM4EHTTUSP2ALDH1A1GAA
SCHEMBL11343689 0.81 KMT2A (0.53) KDM4EHTTUSP2MAOAMAOB
SCHEMBL30517871 0.81 KMT2A (0.53) KDM4EHTTUSP2MAOAMAOB
SCHEMBL7262455 0.80 KDM4E (0.43) KDM4EMAOAALDH1A1GAAPOLB
SCHEMBL4264705 0.80 KDM4E (0.47) KDM4EALDH1A1GAAPOLBRAD52
Hydrochloric Acid SCHEMBL6629225 0.79 KMT2A (0.52) KDM4EHTTUSP2MAOAMAOB

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
EP-1299379-A2 LACTAM METALLOPROTEASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-09 EP disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed