SCHEMBL11514857

SCHEMBL11514857

O=C(O)Nc1ccnc(-c2ccncc2)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.68
RXFP1 Q9HBX9 1/20 0.68
ALDH1A1 P00352 3/20 0.64
IDE P14735 2/20 0.63
LMNA P02545 3/20 0.60
ATM Q13315 1/20 0.60
CYP1A2 P05177 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47

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
SCHEMBL11699162 0.85 L3MBTL1 (0.67) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL10919867 0.85 CYP1A2 (0.69) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11694093 0.83 POLB (0.64) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11517061 0.81 POLB (0.63) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11513877 0.81 POLB (0.62) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11697210 0.80 POLB (0.61) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11695830 0.79 ATM (0.63) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11696189 0.79 POLB (0.60) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11697035 0.78 POLB (0.59) POLBL3MBTL1RXFP1ALDH1A1IDE
SCHEMBL11696518 0.78 L3MBTL1 (0.69) POLBL3MBTL1RXFP1ALDH1A1IDE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4053475-A ANTI-ALLERGIC AGENTS STERLING DRUG INC. (US) 1977-10-11 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4008235-A ANTIALLERGIC STERLING DRUG INC. (US) 1977-02-15 US disclosed