SCHEMBL7364055

SCHEMBL7364055

O=c1cnc(-c2ccc([N+](=O)[O-])cc2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 8/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.43
POLB P06746 2/20 0.43
MCL1 Q07820 2/20 0.43
GFER P55789 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NOTUM Q6P988 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL7398689 0.92 ALOX12 (0.46) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL7366117 0.84 P4HTM (0.53) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL7396948 0.79 ABL1 (0.47) RAB9AMAPTLMNAALDH1A1POLB
SCHEMBL30461131 0.79 RAB9A (0.64) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL13575692 0.76 NPC1 (0.45) NPC1MAPTPOLBNOTUM
SCHEMBL695196 0.75 CYP1A2 (0.46) ALDH1A1L3MBTL1KDM4ENOTUMDYRK1A
SCHEMBL27617094 0.75 RAB9A (0.56) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL5070333 0.75 MAPT (0.56) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL7396951 0.75 KMT2A (0.62) RAB9ANPC1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL7349133 0.75 METAP2 (0.42) RAB9ANPC1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
US-4514568-A 5-(4-Nitrophenyl)-2(1H)-pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-04-30 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed