SCHEMBL6776015

SCHEMBL6776015

NC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.44
BAD Q92934 7/20 0.44
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CMA1 P23946 1/20 0.39
NPY5R Q15761 1/20 0.38
F10 P00742 2/20 0.38
CD38 P28907 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL6775459 0.92 MCL1 (0.48) MCL1BADPLA2G1BPLA2G2AMEN1
SCHEMBL6777226 0.89 ADRA1D (0.43) PLA2G2AMEN1KMT2AF10CD38
SCHEMBL6889876 0.89 MAPK8 (0.44) MCL1BADPLA2G1BPLA2G2AMEN1
SCHEMBL6770301 0.87 PLA2G2A (0.41) PLA2G2AMEN1KMT2ACD38ALDH1A1
SCHEMBL6771780 0.87 IKBKB (0.37) PLA2G2ACD38AURKARPS6KB1
SCHEMBL6782583 0.87 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6775902 0.86 PLA2G2A (0.42) MCL1BADPLA2G1BPLA2G2ACYP2C19
SCHEMBL7968444 0.86 PLA2G2A (0.53) MCL1BADPLA2G1BPLA2G2AMEN1
SCHEMBL6690216 0.86 PLA2G2A (0.43) PLA2G1BPLA2G2AMEN1KMT2AALDH1A1
SCHEMBL6770388 0.86 PLA2G2A (0.41) PLA2G1BPLA2G2AMEN1KMT2AALDH1A1

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
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed