SCHEMBL10666505

SCHEMBL10666505

CC(N)=CC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TGM2 P21980 1/20 0.55
▸ DEGS1 O15121 1/20 0.54
▸ PARP1 P09874 1/20 0.53
▸ PARP15 Q460N3 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAOB P27338 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ KMT2A Q03164 2/20 0.49

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
SCHEMBL8263524 1.00 NAPRT (0.55) NAPRTHSD17B10TGM2DEGS1PARP1
SCHEMBL11051647 0.87 MEN1 (0.60) HSD17B10TGM2PARP1PARP15PARP10
SCHEMBL5177141 0.85 PARP1 (0.57) NAPRTHSD17B10TGM2DEGS1PARP1
SCHEMBL7679084 0.84 SMN1; SMN2 (0.67) NAPRTHSD17B10TGM2DEGS1CYP1A2
SCHEMBL396577 0.84 SMN1; SMN2 (0.67) NAPRTHSD17B10TGM2DEGS1CYP1A2
SCHEMBL23918242 0.83 DDAH1 (0.64) TGM2EGFRMMP1MMP2MMP9
SCHEMBL11048872 0.83 DEGS1 (0.61) DEGS1MAOBMMP1MMP2MMP9
SCHEMBL11530335 0.82 PTGS2 (0.63) NAPRTHSD17B10TGM2DEGS1CYP1A2
SCHEMBL11530331 0.82 PTGS2 (0.63) NAPRTHSD17B10TGM2DEGS1CYP1A2
SCHEMBL3802207 0.81 TGM2 (0.52) NAPRTHSD17B10TGM2DEGS1PARP1

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
JP-62249972-A — — None — — JP disclosed
US-4788205-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1988-11-29 — — US disclosed
EP-0258033-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-03-02 — — EP disclosed
JP-S62249972-A PYRIDINE-3-CARBOXAMIDE DERIVATIVE AND PLANT GROWTH RETARDANT DAICEL CHEM IND LTD 1987-10-30 — — JP disclosed
Send feedback