SCHEMBL9265839

SCHEMBL9265839

O=C(O)c1ccccc1-c1ncccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
ALDH1A1 P00352 5/20 0.55
ALOX15 P16050 2/20 0.55
BLM P54132 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NAPRT Q6XQN6 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
DHODH Q02127 1/20 0.50
MYC P01106 2/20 0.49
ALOX12 P18054 1/20 0.46
CYP2C9 P11712 1/20 0.46
CTSL P07711 1/20 0.46
PTPRC P08575 1/20 0.46

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
SCHEMBL7749390 0.93 KDM4E (0.63) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL3820615 0.90 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL2555756 0.90 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL28618374 0.87 KDM4E (0.61) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL6579855 0.86 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL6876755 0.86 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL29950470 0.86 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL6206542 0.86 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL29574354 0.86 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15BLM
SCHEMBL30555267 0.86 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed