SCHEMBL8027450

SCHEMBL8027450

O=c1ncccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MET P08581 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ADRA2B P18089 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
SCHEMBL9016883 0.75 HCAR1 (0.47) HCAR1ALDH1A1MAPTL3MBTL1MET
SCHEMBL31213128 0.75 ALDH1A1 (0.61) HCAR1ALDH1A1MAPTL3MBTL1MET
SCHEMBL3078101 0.73 KAT2B (0.48) ALDH1A1MAPTL3MBTL1RAB9ANPC1
SCHEMBL11411912 0.73 HCAR1 (0.45) HCAR1ALDH1A1MAPTL3MBTL1MET
SCHEMBL30426426 0.72 ALDH1A1 (0.52) HCAR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL5242261 0.72 ALDH1A1 (0.52) HCAR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6219384 0.71 NPC1 (0.54) ALDH1A1L3MBTL1LMNARAB9ANPC1
SCHEMBL1321811 0.70 KMT2A (0.74) HCAR1ALDH1A1MAPTHTTPOLB
SCHEMBL27814208 0.70 ALDH1A1 (0.47) HCAR1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7981240 0.70 KMT2A (0.48) HCAR1ALDH1A1MAPTLMNACYP2C9

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
EP-0738713-B1 Process for the preparation of pesticidal 1-(chloroaryl)heterocyclic compounds RHONE POULENC AGROCHIMIE (FR) 2000-02-09 — — EP disclosed
US-5726324-A 1-(nitroaryl)pyrrole intermediates to pesticidal 1-(haloaryl)pyrroles RHONE-POULENC INC. (US) 1998-03-10 — — US disclosed
US-5631381-A Process for the preparation of pesticidal 1-(haloaryl) heterocyclic compounds RHONE-POULENC INC. (US) 1997-05-20 — — US disclosed
EP-0738713-A1 Process for the preparation of pesticidal 1-(haloaryl)heterocyclic compounds RHONE-POULENC AGROCHIMIE (FR) 1996-10-23 — — EP disclosed
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