SCHEMBL7435134

SCHEMBL7435134

O=C(c1ccccn1)c1c[nH]c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.43
GSK3B P49841 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
GRM4 Q14833 1/20 0.38
RAB9A P51151 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL9787211 0.83 KMT2A (0.49) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL7438583 0.75 P2RX7 (0.44) RAB9AMAPT
SCHEMBL87791 0.74 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31369148 0.74 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31369119 0.72 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL27723543 0.72 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Water SCHEMBL6228901 0.72 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Charcoal, Activated SCHEMBL8358164 0.72 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL7439990 0.72 BTK (0.46) LMNAMAPTBTK
SCHEMBL7437748 0.71 PDE3B (0.46) KMT2AL3MBTL1LMNANAPRTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP disclosed