SCHEMBL30896376

SCHEMBL30896376

Cc1cc(-c2cc3onc(C)c3cc2[N+](=O)[O-])ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
NFATC1 O95644 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
BRD4 O60885 3/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
ERN1 O75460 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL31613163 0.77 DYRK1A (0.42) DYRK1ANFATC1CCNCCDK8MAPK1
SCHEMBL30896471 0.77 ADORA2A (0.41) DYRK1ANFATC1RAB9AMAPTSMN1; SMN2
SCHEMBL28912013 0.74 CA12 (0.46) BRD4MAPTALDH1A1MAPK1
SCHEMBL6589213 0.74 BRD4 (0.44) RAB9ANPC1BRD4MAPTSMN1; SMN2
SCHEMBL30690121 0.74 TSHR (0.44) BRD4MAPTMEN1ALDH1A1KMT2A
SCHEMBL25282000 0.74 BRD4 (0.42) BRD4MAPTALDH1A1ERN1
SCHEMBL30896402 0.74 BRD4 (0.42) BRD4MAPTALDH1A1ERN1
SCHEMBL30896325 0.72 MAPT (0.44) MAPTSMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL30690118 0.71 BRD4 (0.45) BRD4MAPTALDH1A1HTTKMT2A
SCHEMBL28551101 0.71 BRD4 (0.44) RAB9ANPC1BRD4MAPTSMN1; SMN2

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