SCHEMBL30896394

SCHEMBL30896394

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ GALR2 O43603 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ 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

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
SCHEMBL31613168 0.94 KDM4E (0.46) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL6199167 0.89 KDM4E (0.53) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL25219471 0.83 SMN1; SMN2 (0.41) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL28392846 0.79 KDM4E (0.58) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL11874680 0.77 ALDH1A1 (0.41) LMNAKDM4EALDH1A1MAPTHTT
SCHEMBL588563 0.76 RAB9A (0.62) LMNAKDM4EALDH1A1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL20358007 0.75 RAB9A (0.60) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL4664889 0.74 LMNA (0.40) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL30896380 0.74 ALDH1A1 (0.40) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL30896387 0.73 MAPT (0.59) LMNAKDM4EALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 — — EP disclosed
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
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 — — WO disclosed
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