SCHEMBL8300657

SCHEMBL8300657

Cc1[nH]c2ccc(C(=O)O)cc2c1CC(=O)N(N)Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 1/20 0.44
PSMD14 O00487 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APEX1 P27695 1/20 0.44
POLB P06746 1/20 0.43
SNCA P37840 1/20 0.42
PDE5A O76074 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL8293138 0.91 ADRA2A (0.47) KDM4EALDH1A1SNCAGAAMAPT
SCHEMBL27398702 0.83 PLA2G2A (0.48) PTPN5KDM4EALDH1A1THRBPLA2G2A
SCHEMBL13401405 0.74 KDM4E (0.73) PTPN5KDM4EALDH1A1THRBHPGD
SCHEMBL8295618 0.74 HTR1A (0.47) PLA2G2AMEN1KMT2ASIRT2SIRT1
SCHEMBL25811506 0.70 KDM4E (0.67) PTPN5KDM4EALDH1A1THRBHPGD
SCHEMBL5881620 0.70 PTPN5 (0.57) PTPN5KDM4EALDH1A1THRBHPGD
SCHEMBL8529584 0.70 PTPN5 (0.62) PTPN5KDM4EALDH1A1THRBHPGD
SCHEMBL1757962 0.69 KDM4E (0.73) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL5881790 0.69 PTPN5 (0.58) PTPN5KDM4EALDH1A1THRBHPGD
SCHEMBL20957066 0.68 TAS2R14 (0.51) KDM4EALDH1A1HPGDRECQLGAA

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
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed