SCHEMBL9727031

SCHEMBL9727031

CC(N)=CC(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 3/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL9727033 1.00 TDP1 (0.58) TDP1LMNAHDAC6ALDH1A1KDM4E
SCHEMBL12309841 0.81 ACACB (0.56) ALDH1A1MEN1KMT2A
SCHEMBL2462386 0.81 ACACB (0.56) ALDH1A1MEN1KMT2A
SCHEMBL12707591 0.79 TDP1 (0.65) TDP1LMNAALDH1A1KDM4EHSD17B10
SCHEMBL10163431 0.79 TDP1 (0.65) TDP1LMNAALDH1A1KDM4EHSD17B10
SCHEMBL1244430 0.78 HSD17B10 (0.59) TDP1LMNAHDAC6ALDH1A1KDM4E
SCHEMBL1186297 0.78 HSD17B10 (0.59) TDP1LMNAHDAC6ALDH1A1KDM4E
SCHEMBL1186568 0.78 HSD17B10 (0.59) TDP1LMNAHDAC6ALDH1A1KDM4E
SCHEMBL4464540 0.78 HSD17B10 (0.51) TDP1LMNAHDAC6ALDH1A1KDM4E
SCHEMBL28207649 0.77 TDP1 (0.63) TDP1LMNAALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed