SCHEMBL11258739

SCHEMBL11258739

O=C(O)c1cc2c3ccccc3[nH]c(=O)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.74
GRIA1 P42261 3/20 0.65
GRIA2 P42262 3/20 0.65
GRIA3 P42263 3/20 0.65
GRIA4 P48058 3/20 0.65
GRIN2D O15399 2/20 0.65
GRIN3B O60391 2/20 0.65
GRIN1 Q05586 2/20 0.65
GRIN2A Q12879 2/20 0.65
GRIN2B Q13224 2/20 0.65
GRIN2C Q14957 2/20 0.65
GRIN3A Q8TCU5 2/20 0.65

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
SCHEMBL11544907 0.88 ADORA3 (0.69) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11258237 0.87 ADORA3 (0.72) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11255156 0.87 ADORA3 (0.76) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11250907 0.87 ADORA3 (0.72) ADORA3GRIA1GRIA2GRIA3GRIA4
Acetone SCHEMBL11543246 0.86 ADORA3 (0.74) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11392211 0.84 ADORA3 (0.54) ADORA3GRIA1GRIA2GRIA3GRIA4
Acetaldehyde SCHEMBL11543250 0.83 ADORA3 (0.70) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11622022 0.82 GRIA1 (0.72) ADORA3GRIA1GRIA2GRIA3GRIA4
SCHEMBL11631304 0.81 ADORA3 (0.67) ADORA3
SCHEMBL11631308 0.81 ADORA3 (0.67) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164578-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US claimed
US-4123532-A ADMINISTERING A PYRAZOLO(1,5-C)QUINAZOLIN-5(6H)-ONE COMPOUND E. R. SQUIBB & SONS, INC. (US) 1978-10-31 US claimed
US-4337255-A ANTI-ALLERGY AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-06-29 US disclosed
US-4282226-A Thioxopyrazolo[1,5-c]quinazoline derivatives, anti-allergic compositions and methods for treating allergic conditions by parenteral administration, aerosol or insufflation E. R. SQUIBB & SONS, INC. (US) 1981-08-04 US disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4164578-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1979-08-14 US disclosed
US-4145420-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-20 US disclosed
US-4128644-A ANTIALLERGENS, ANTIINFLAMMATORY PHOSPHODIESTERASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4123532-A ADMINISTERING A PYRAZOLO(1,5-C)QUINAZOLIN-5(6H)-ONE COMPOUND E. R. SQUIBB & SONS, INC. (US) 1978-10-31 US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed
US-3903106-A Pyrazole-3-carboxylic acids LILLY CO ELI 1975-09-02 US disclosed
US-3895027-A Process for preparing pyrazole-3-carboxylic acids LILLY CO ELI 1975-07-15 US disclosed