SCHEMBL7777939

SCHEMBL7777939

COC(=O)c1ccc(C=Cc2ccccc2-c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM1A O60341 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
SNCA P37840 2/20 0.46
POLB P06746 1/20 0.46
PTPN1 P18031 1/20 0.46
TGFBR1 P36897 1/20 0.45
TSHR P16473 1/20 0.44
PKM P14618 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL7777936 1.00 KDM4E (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7774953 0.83 KDM4E (0.46) KDM4EMAPTNPC1RAB9AKDM1A
Hydrochloric Acid SCHEMBL7774954 0.83 KDM4E (0.46) KDM4EMAPTNPC1RAB9AKDM1A
SCHEMBL6239748 0.80 EGFR (0.52) MAPTNPC1RAB9AALDH1A1HDAC1
SCHEMBL6239739 0.80 EGFR (0.52) MAPTNPC1RAB9AALDH1A1HDAC1
SCHEMBL510062 0.80 NPC1 (0.55) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL708541 0.80 NPC1 (0.55) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7774924 0.80 SNCA (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7774926 0.80 SNCA (0.48) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL31039975 0.79 TGFBR1 (0.56) KDM4EMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed