SCHEMBL6690152

SCHEMBL6690152

NC(=O)c1cccc2c1c1c(O)cc(-c3ccc(C(F)(F)F)cc3)cc1n2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.42
ICMT O60725 1/20 0.42
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
BRD4 O60885 2/20 0.41
DHODH Q02127 1/20 0.41
PLA2G2A P14555 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FABP4 P15090 2/20 0.40
MAPT P10636 1/20 0.39
MAPK10 P53779 1/20 0.39
PLA2G1B P04054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL6776400 0.91 MAPT (0.45) ICMTFABP4MAPTMAPK10PARP1
SCHEMBL6694433 0.90 PLA2G2A (0.46) KDM4EALDH1A1SMN1; SMN2BRD4PLA2G2A
SCHEMBL6775381 0.89 PPARG (0.44) ICMTPLA2G2AMAPTMAPK10PLA2G1B
SCHEMBL6690216 0.88 PLA2G2A (0.43) ALDH1A1PLA2G2APLA2G1BL3MBTL1PARP1
SCHEMBL6692858 0.87 PPARG (0.43) KDM4EALDH1A1CFTRPTPN1PTPN2
SCHEMBL29862383 0.86 PTPN1 (0.48) PTPN1PTPN2PTPN6PLA2G2APLA2G1B
SCHEMBL818875 0.86 PTPN1 (0.48) PTPN1PTPN2PTPN6PLA2G2APLA2G1B
SCHEMBL29029788 0.86 BACE1 (0.44) KDM4EALDH1A1SMN1; SMN2CFTRICMT
SCHEMBL6770631 0.85 PLA2G2A (0.46) ALDH1A1PLA2G2AFABP4PLA2G1BL3MBTL1
SCHEMBL6776773 0.84 PLA2G2A (0.42) ALDH1A1PLA2G2APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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