SCHEMBL11515401

SCHEMBL11515401

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.47
IDE P14735 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11515406 1.00 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11516598 0.84 POLB (0.51) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11516597 0.84 POLB (0.51) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517427 0.81 L3MBTL1 (0.52) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11516091 0.80 POLB (0.50) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11516097 0.80 POLB (0.50) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11699162 0.78 L3MBTL1 (0.67) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515735 0.77 NEK2 (0.51) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11515588 0.76 POLB (0.49) L3MBTL1RXFP1POLBLMNAALDH1A1
SCHEMBL11517436 0.76 L3MBTL1 (0.48) 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 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