SCHEMBL11699162

SCHEMBL11699162

NC(=O)Nc1ccnc(-c2ccncc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
RXFP1 Q9HBX9 1/20 0.67
POLB P06746 3/20 0.63
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
ATM Q13315 1/20 0.59
IDE P14735 2/20 0.58
CYP1A2 P05177 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 4/20 0.46
PPARG P37231 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP2D6 P10635 2/20 0.43

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
SCHEMBL11514857 0.85 POLB (0.69) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL10919867 0.84 CYP1A2 (0.69) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11694093 0.81 POLB (0.64) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517061 0.80 POLB (0.63) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11697210 0.79 POLB (0.61) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517427 0.78 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11695830 0.78 ATM (0.63) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515406 0.78 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515401 0.78 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11696189 0.78 POLB (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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