SCHEMBL6692697

SCHEMBL6692697

COC(=O)c1cccc2c1c1c(n2Cc2ccccn2)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 3/20 0.38
BUB1 O43683 1/20 0.38
PLA2G2A P14555 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL5207833 0.86 HDAC1 (0.51) HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL6689321 0.84 HDAC1 (0.42) HDAC1HDAC6KDM4EALDH1A1SMN1; SMN2
SCHEMBL6774729 0.84 HDAC1 (0.45) HDAC1HDAC6KDM4EALDH1A1TSHR
SCHEMBL6694051 0.83 HDAC1 (0.44) HDAC1HDAC6KDM4EALDH1A1HPGD
SCHEMBL6693115 0.83 FABP3 (0.45) HDAC1HDAC6KDM4EALDH1A1HSD17B10
SCHEMBL6691476 0.83 KDM4E (0.46) HDAC1HDAC6KDM4EALDH1A1HSD17B10
SCHEMBL6691242 0.82 HDAC1 (0.46) HDAC1HDAC6KDM4EPLA2G2AMAPT
SCHEMBL6689259 0.82 HDAC1 (0.40) HDAC1HDAC6KDM4EALDH1A1HSD17B10
SCHEMBL6693538 0.82 HDAC1 (0.42) HDAC1HDAC6KDM4EALDH1A1HSD17B10
SCHEMBL6775399 0.82 PLA2G2A (0.42) HDAC1HDAC6BUB1PLA2G2A

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