SCHEMBL10691443

SCHEMBL10691443

COc1cnc(C(C)C)nc1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.36
P2RX2 Q9UBL9 12/20 0.36
SMPD3 Q9NY59 3/20 0.36
NQO2 P16083 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10689547 0.81 AOC3 (0.34) P2RX3P2RX2ALDH1A1POLB
SCHEMBL29333343 0.78 P2RX3 (0.37) P2RX3P2RX2ALDH1A1POLB
SCHEMBL19523196 0.78 P2RX3 (0.37) P2RX3P2RX2SMPD3ALDH1A1
SCHEMBL10566894 0.78 KMT2A (0.47) P2RX3P2RX2ALDH1A1POLB
SCHEMBL25910808 0.77 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL30068102 0.77 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL31366357 0.75 ALDH1A1 (0.38) SMPD3NQO2ALDH1A1
SCHEMBL2148581 0.75 ALDH1A1 (0.38) SMPD3NQO2ALDH1A1
SCHEMBL6648783 0.75 APLNR (0.34)
SCHEMBL10688091 0.75 LMNA (0.32)

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-0167888-B1 PROCESS FOR PREPARING PHOSPHORIC-ACID DERIVATIVES AND INTERMEDIATE COMPOUNDS BAYER AG (DE) 1988-08-17 EP disclosed
US-4686290-A Preparation of pyrimidyl phosphoric acid derivatives and intermediates BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0167888-A1 Process for preparing phosphoric-acid derivatives and intermediate compounds BAYER AG (DE) 1986-01-15 EP disclosed