SCHEMBL29634822

SCHEMBL29634822

COC(=O)c1cc(Oc2ccccc2Cl)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL26631729 0.89 ALDH1A1 (0.46) TDP1LMNAMEN1KMT2AL3MBTL1
SCHEMBL29634821 0.83 SMN1; SMN2 (0.45) TDP1LMNAMEN1KMT2AALDH1A1
SCHEMBL87462 0.81 TDP1 (0.77) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL15770914 0.81 HSPB1 (0.51) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL15972175 0.80 POLB (0.51) TDP1LMNAMEN1KMT2AL3MBTL1
SCHEMBL26631738 0.80 MAPT (0.43) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL26631827 0.80 MAPT (0.46) TDP1LMNAMEN1KMT2AL3MBTL1
SCHEMBL15067957 0.79 HSPB1 (0.47) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31352860 0.77 CTSV (0.50) HPGDLMNAMEN1KMT2AL3MBTL1
SCHEMBL26113307 0.77 CTSV (0.50) HPGDLMNAMEN1KMT2AL3MBTL1

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
EP-4240489-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-09-13 — — EP disclosed
WO-2022098625-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-05-12 — — WO disclosed
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