SCHEMBL7500679

SCHEMBL7500679

COC(=O)c1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
KIF11 P52732 1/20 0.43
ALOX15 P16050 1/20 0.42
MAP2K4 P45985 1/20 0.42

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
SCHEMBL7504271 0.90 KDM4E (0.47) KDM4EMEN1KMT2ATP53ALOX15
SCHEMBL7505821 0.89 KDM4E (0.50) KDM4EMEN1KMT2AMAPK1
SCHEMBL7502672 0.88 MAPT (0.53) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7508559 0.88 KDM4E (0.43) KDM4EMEN1KMT2ATP53ALOX15
SCHEMBL7503892 0.88 KDM4E (0.45) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7512480 0.87 SMN1; SMN2 (0.45) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL7498695 0.87 KDM4E (0.44) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL7503003 0.86 KDM4E (0.54) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7508136 0.86 ALOX15 (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7502875 0.86 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ANPSR1

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-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed