SCHEMBL9689168

SCHEMBL9689168

CC(C(=O)O)c1nncn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
S1PR1 P21453 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CBLB Q13191 3/20 0.33
PTGS2 P35354 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL31291202 0.75
SCHEMBL29919959 0.75
SCHEMBL1491038 0.69 KDM4E (0.50) ALDH1A1ALOX15HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL25661195 0.69 CBLB (0.41) ALDH1A1ALOX15HSD17B10CBLB
SCHEMBL29998114 0.68 CBLB (0.36) S1PR1CBLB
SCHEMBL30605872 0.68 CBLB (0.36) S1PR1CBLB
SCHEMBL29998732 0.68 CBLB (0.36) S1PR1CBLB
SCHEMBL29998458 0.68 CBLB (0.36) S1PR1CBLB
SCHEMBL29998597 0.68 CBLB (0.36) S1PR1CBLB
SCHEMBL27263690 0.68 ALDH1A1 (0.31) ALDH1A1ALOX15HSD17B10

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
EP-0329357-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-07-15 EP disclosed
EP-0329357-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1989-08-23 EP disclosed
US-4859686-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-08-22 US disclosed