SCHEMBL11254178

SCHEMBL11254178

Cc1cc(=O)n2cc(C(=O)O)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ PSD A5PKW4 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL11919881 0.78 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11252500 0.78 AKR1B1 (0.53) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24593 0.78 ALPG (0.46) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11249842 0.76 KDM4E (0.41) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11249851 0.76 KDM4E (0.41) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31309445 0.76 ALPG (0.45) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17383700 0.76 KDM4E (0.51) KDM4EALDH1A1PSDSMN1; SMN2NPC1
SCHEMBL11250685 0.75 ALPG (0.42) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11250680 0.75 ALPG (0.42) ALPGAKR1B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11263149 0.74 ALPG (0.44) ALPGAKR1B1KDM4EALDH1A1SMN1; 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
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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