SCHEMBL11517592

SCHEMBL11517592

O=C(O)C(=CNc1ccnc(-c2ccncc2)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 2/20 0.51
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.48
IDE P14735 1/20 0.47
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 3/20 0.38
USP2 O75604 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL11516685 0.99 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515183 0.92 POLB (0.50) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517427 0.87 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515601 0.84 POLB (0.41) L3MBTL1RXFP1POLBALDH1A1ATM
SCHEMBL11515259 0.84 CYP1A2 (0.61) POLBLMNAALDH1A1IDEMAPK1
SCHEMBL11515975 0.84 L3MBTL1 (0.49) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL10507735 0.84 POLB (0.43) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515588 0.83 POLB (0.49) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11513752 0.82 POLB (0.40) L3MBTL1RXFP1POLBALDH1A1ATM
SCHEMBL11652921 0.81 POLB (0.47) L3MBTL1RXFP1POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US claimed
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed
US-4118571-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed
US-3992380-A 5,8-Dihydro-5-oxo-2-(4-or 3-pyridinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acids and esters STERLING DRUG INC. (US) 1976-11-16 US disclosed