SCHEMBL7322737

SCHEMBL7322737

COC(=O)c1cccc(C)c1NCc1cccnc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
DNMT1 P26358 1/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 2/20 0.38
EGFR P00533 1/20 0.37
NAMPT P43490 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HTR6 P50406 1/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL7322262 0.90 LMNA (0.43) ALDH1A1KDM4EL3MBTL1MMP2HTT
SCHEMBL7317430 0.83 MMP9 (0.44) KMT2AALDH1A1KDM4EMMP2MEN1
SCHEMBL7318787 0.83 MMP13 (0.48) ALDH1A1MMP2
SCHEMBL7311156 0.83 KDM4E (0.44) KMT2AALDH1A1KDM4EPOLBMMP2
SCHEMBL7316579 0.81 KDM4E (0.44) KMT2AALDH1A1KDM4ETDP1MMP2
SCHEMBL7317521 0.81 MMP13 (0.41) KMT2AKDM4ETDP1MMP2NAMPT
SCHEMBL7322032 0.80 MMP13 (0.40) ALDH1A1KDM4EL3MBTL1MMP2NAMPT
SCHEMBL7316215 0.79 MMP13 (0.41) ALDH1A1KDM4EPOLBMMP2NAMPT
SCHEMBL7324047 0.79 GABRG2 (0.42) KMT2AMMP2MEN1
SCHEMBL7319136 0.79 SMN1; SMN2 (0.40) KMT2AALDH1A1KDM4EPOLBTDP1

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
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed