SCHEMBL9273626

SCHEMBL9273626

O=c1c(-c2nnnn2Cc2ccc(Cl)c(Cl)c2)cnc2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1I3 Q14994 5/20 0.42
TRPA1 O75762 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL9264401 0.89 ENPP2 (0.46) P2RX7TRPA1SIGMAR1KDM4ENPC1
SCHEMBL9279945 0.86 KMT2A (0.43) P2RX7TRPA1SIGMAR1KDM4ENPC1
SCHEMBL9259178 0.84 P2RX7 (0.42) P2RX7TDP1TRPA1SIGMAR1
SCHEMBL9284417 0.79 NPC1 (0.41) P2RX7KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9260174 0.77 ALDH1A1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9262714 0.76 RAB9A (0.40) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9262401 0.76 NPC1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6356874 0.76 P2RX7 (0.64) P2RX7TRPA1SIGMAR1NPC1RAB9A
SCHEMBL9261855 0.75 MAPT (0.43) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9262577 0.74 ALDH1A1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641340-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO- 1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1995-03-08 EP disclosed
WO-1993004065-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO-[1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-03-04 WO disclosed