SCHEMBL6970040

SCHEMBL6970040

CC(=O)c1ccc(-c2ccco2)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
MAPT P10636 7/20 0.42
POLB P06746 6/20 0.42
ALDH1A1 P00352 5/20 0.42
RECQL P46063 4/20 0.42
BLM P54132 4/20 0.42
HPGD P15428 3/20 0.42
APEX1 P27695 2/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 2/20 0.42
NR4A1 P22736 1/20 0.42
PTPN7 P35236 1/20 0.42
PTK2B Q14289 1/20 0.42
MYC P01106 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ADORA2A P29274 2/20 0.40

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
SCHEMBL6513076 0.79 HSD17B1 (0.44) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL18519888 0.78 MAPT (0.47) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL6954987 0.77 PLOD2 (0.42) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL3567606 0.77 ESR1 (0.51) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL6963436 0.77 PTPN1 (0.49) KDM4EMAPTPOLBALDH1A1HPGD
SCHEMBL6770480 0.75 ADORA2A (0.46) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL6959703 0.73 CFTR (0.51) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL6765514 0.73 ADORA1 (0.45) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL6970043 0.71 KDM4E (0.41) KDM4EMAPTPOLBALDH1A1RECQL
SCHEMBL31264118 0.71 MEN1 (0.50) KDM4EMAPTPOLBALDH1A1RECQL

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-6649636-B1 Cyclooxygenase inhibitors PFIZER INC. 2003-11-18 US disclosed
EP-1104759-B1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1104759-A1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed