SCHEMBL9029575

SCHEMBL9029575

CCOC(=O)C(=O)c1cc(Cl)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
ABCB1 P08183 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GPR35 Q9HC97 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
AR P10275 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KAT2B Q92831 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
SCHEMBL21408469 0.77 ALDH1A1 (0.48) BAZ2BBAZ2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16416929 0.73 KMT2A (0.43) BAZ2BBAZ2ATDP1MAPTALDH1A1
SCHEMBL21266562 0.73 RAB9A (0.46) BAZ2BBAZ2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1277680 0.71 KMT2A (0.53) TDP1KDM4EGPR35SMN1; SMN2AR
SCHEMBL9030971 0.71 BAZ2B (0.43) BAZ2BBAZ2AKDM4EMAPTALDH1A1
SCHEMBL16595640 0.71 RXFP1 (0.53) TDP1MAPTLMNAL3MBTL1
SCHEMBL1704844 0.70 ABCB1 (0.47) ABCB1TDP1MAPTALDH1A1GPR35
SCHEMBL1277233 0.70 CYP1A2 (0.56) KDM4ENPSR1MAPTGAAL3MBTL1
SCHEMBL10919254 0.70 NPC1 (0.47) KDM4EMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9030367 0.70 BAZ2B (0.42) BAZ2BBAZ2ATDP1KDM4ENPSR1

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-0714895-A1 Pyrrole derivatives F. Hoffmann-La Roche AG (CH) 1996-06-05 EP disclosed