SCHEMBL31613168

SCHEMBL31613168

Cc1nc2cc(Br)c([N+](=O)[O-])cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HDAC1 Q13547 1/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL30896394 0.94 LMNA (0.46) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL6199167 0.89 KDM4E (0.53) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL28392846 0.79 KDM4E (0.58) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL25219471 0.77 SMN1; SMN2 (0.41) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL588563 0.76 RAB9A (0.62) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL11561933 0.76 CYP1A2 (0.43) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL31613186 0.75 L3MBTL1 (0.41) KDM4ELMNAALDH1A1RAB9AMAPT
Ammonia Solution, Strong SCHEMBL20358007 0.75 RAB9A (0.60) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL4664889 0.74 LMNA (0.40) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL30896312 0.74 KDM4E (0.40) KDM4ELMNAALDH1A1NPC1RAB9A

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
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 — — CN disclosed
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