SCHEMBL11515975

SCHEMBL11515975

N#CC(=CNc1ccnc(-c2ccncc2)n1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
IDE P14735 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.40
NEK2 P51955 1/20 0.39
PLK1 P53350 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 4/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL11515735 0.90 NEK2 (0.51) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11514692 0.86 POLB (0.47) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11514696 0.86 POLB (0.47) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517592 0.84 L3MBTL1 (0.53) L3MBTL1RXFP1POLBLMNAALDH1A1
Hydrochloric Acid SCHEMBL11516685 0.83 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11514757 0.83 DHODH (0.47) L3MBTL1RXFP1POLBALDH1A1ATM
SCHEMBL11514763 0.83 DHODH (0.47) L3MBTL1RXFP1POLBALDH1A1ATM
SCHEMBL11516615 0.82 L3MBTL1 (0.48) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515183 0.80 POLB (0.50) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517427 0.77 L3MBTL1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed