SCHEMBL9545834

SCHEMBL9545834

CC(=O)N(c1nnc(C)s1)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
CSNK2A1 P68400 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
S100A4 P26447 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL9381817 0.88 TSHR (0.41) HCAR3POLBKDM4EMAPTLMNA
SCHEMBL3000565 0.73 TSHR (0.40) HCAR3KDM4ERAB9AMAPTLMNA
SCHEMBL27490657 0.72 HCAR3 (0.43) HCAR3KDM4ERAB9AMAPTLMNA
SCHEMBL30018445 0.68 ALDH1A1 (0.58) HCAR3POLBKDM4ERAB9AMAPT
SCHEMBL6506822 0.68 ALDH1A1 (0.58) HCAR3POLBKDM4ERAB9AMAPT
SCHEMBL652038 0.64 HCAR3 (0.44) HCAR3KDM4ERAB9AMAPTLMNA
SCHEMBL652037 0.64 HCAR3 (0.44) HCAR3KDM4ERAB9AMAPTLMNA
SCHEMBL11387849 0.64 RAB9A (0.42) HCAR3POLBKDM4ERAB9AMAPT
SCHEMBL17309819 0.64 ALDH3A1 (0.63) HCAR3POLBKDM4ERAB9AMAPT
SCHEMBL3498660 0.63 KDM4E (0.45) KDM4ERAB9AMAPTMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993019054-A1 N-HETEROCYCLIC NITRO ANILINES AS FUNGICIDES DOWELANCO (US) 1993-09-30 WO claimed