SCHEMBL31383892

SCHEMBL31383892

CC(C)(C)Nc1cccc(Br)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ CXCR2 P25025 2/20 0.35
▸ PMM2 O15305 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ CXCR1 P25024 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDK1 Q15118 2/20 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
SCHEMBL7881974 0.81 ALDH1A1 (0.44) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL31577354 0.81 ALDH1A1 (0.44) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL28520813 0.80 MAPT (0.40) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL18340899 0.77 KAT2B (0.44) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL1496397 0.77 TP53 (0.42) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9452627 0.75 ALDH1A1 (0.52) TDP1ALDH1A1TSHRPMM2MPI
SCHEMBL17268405 0.74 KAT2B (0.49) MAPTTDP1ALDH1A1TP53KAT2B
SCHEMBL31723403 0.74 GAA (0.38) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL16352522 0.73 TDP1 (0.57) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL14764293 0.73 TP53 (0.51) KMT2AMEN1MAPTTDP1ALDH1A1

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-2025064802-A1 INHIBITING HUMAN INTEGRIN α5β1 MORPHIC THERAPEUTIC, INC. (US) 2025-03-27 — — WO disclosed
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