SCHEMBL31073867

SCHEMBL31073867

Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc([N+](=O)[O-])c(C)cc4F)cn(C)c(=O)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.49
▸ GPR174 Q9BXC1 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL31073799 0.86 BRD4 (0.53) BRD4
SCHEMBL15069163 0.86 BRD4 (0.52) BRD4HTR6MEN1KMT2AALDH1A1
SCHEMBL30324901 0.86 BRD4 (0.52) BRD4HTR6MEN1KMT2AALDH1A1
SCHEMBL17748867 0.85 BRD4 (0.49) BRD4GPR174HTR6MEN1KMT2A
SCHEMBL15069625 0.83 BRD4 (0.49) BRD4GPR174HTR6MEN1KMT2A
SCHEMBL15069409 0.81 BRD4 (0.48) BRD4
SCHEMBL31395498 0.81 BRD4 (0.55) BRD4
SCHEMBL15069411 0.81 BRD4 (0.55) BRD4
SCHEMBL15069384 0.80 BRD4 (0.54) BRD4
SCHEMBL20384519 0.80 BRD4 (0.56) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684283-A Pyrrolo [2,3-c ] pyridines and use thereof 山东新时代药业有限公司 2025-03-25 — — CN disclosed
WO-2024193527-A1 PYRROLO[2,3-C]PYRIDINE COMPOUND AS BROMODOMAIN INHIBITOR 山东新时代药业有限公司 2024-09-26 — — WO disclosed
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