SCHEMBL29634821

SCHEMBL29634821

COC(=O)c1cc(Oc2ccccc2C#N)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PIN1 Q13526 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ EZH2 Q15910 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38

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 0.86 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL29634822 0.83 HPGD (0.52) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL15770914 0.78 HSPB1 (0.51) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL15972175 0.77 POLB (0.51) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL26631738 0.77 MAPT (0.43) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL26631827 0.77 MAPT (0.46) LMNAMEN1KMT2AMAPTGAA
SCHEMBL15067957 0.74 HSPB1 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL29634818 0.74 CTSV (0.41) SMN1; SMN2PIN1LMNAALDH1A1MEN1
SCHEMBL27075094 0.74 CTSV (0.41) SMN1; SMN2PIN1LMNAALDH1A1MEN1
SCHEMBL31352860 0.74 CTSV (0.50) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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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