SCHEMBL11517436

SCHEMBL11517436

NC(=O)CC(=O)N=CNc1ccnc(-c2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
IDE P14735 1/20 0.43
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 5/20 0.36
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34
PRKCI P41743 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL11515599 0.88 ATM (0.49) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11515401 0.76 L3MBTL1 (0.52) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11515406 0.76 L3MBTL1 (0.52) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11517427 0.76 L3MBTL1 (0.52) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11699162 0.74 L3MBTL1 (0.67) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11515735 0.73 NEK2 (0.51) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11515588 0.72 POLB (0.49) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11517592 0.72 L3MBTL1 (0.53) L3MBTL1RXFP1ATMPOLBLMNA
Hydrochloric Acid SCHEMBL11516685 0.71 L3MBTL1 (0.52) L3MBTL1RXFP1ATMPOLBLMNA
SCHEMBL11514659 0.70 MAPT (0.51) L3MBTL1RXFP1ATMPOLBLMNA

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 5 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-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