SCHEMBL11254686

SCHEMBL11254686

Cc1c(C=Cc2ccccc2)nc2ccc(C(=O)O)cn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL11254681 1.00 P2RX3 (0.46) P2RX3ALPGAKR1B1NR1H4GRM4
SCHEMBL11262197 0.91 ALPG (0.45) P2RX3ALPGAKR1B1NR1H4KDM4E
SCHEMBL11262214 0.91 ALPG (0.45) P2RX3ALPGAKR1B1NR1H4KDM4E
SCHEMBL11248463 0.90 AKR1B1 (0.52) P2RX3ALPGAKR1B1GFERPOLB
SCHEMBL11248467 0.90 AKR1B1 (0.52) P2RX3ALPGAKR1B1GFERPOLB
SCHEMBL11255538 0.90 ALPG (0.44) P2RX3ALPGAKR1B1NR1H4KDM4E
SCHEMBL11255541 0.90 ALPG (0.44) P2RX3ALPGAKR1B1NR1H4KDM4E
SCHEMBL11255503 0.89 ALPG (0.43) P2RX3ALPGAKR1B1KDM4EALDH1A1
SCHEMBL11255509 0.89 ALPG (0.43) P2RX3ALPGAKR1B1KDM4EALDH1A1
SCHEMBL11245407 0.89 AKR1B1 (0.51) P2RX3ALPGAKR1B1

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
US-4341780-A Substituted pyrido [1,2-a] pyrimidines useful as anti-allergic, anti-ulcer and anti-diabetic agents FARMITALIA CARLO ERBA S.P.A. (IT) 1982-07-27 — — US claimed
US-4341780-A Substituted pyrido [1,2-a] pyrimidines useful as anti-allergic, anti-ulcer and anti-diabetic agents FARMITALIA CARLO ERBA S.P.A. (IT) 1982-07-27 — — US disclosed
US-4310526-A Substituted 6,7-methylene pyrido[1,2-a]pyrimidines useful as anti-allergic and anti-ulcer agents FARMITALIA CARLO ERBA S.P.A. (IT) 1982-01-12 — — US disclosed
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