SCHEMBL31052452

SCHEMBL31052452

CN(CCC#N)c1cccc([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MITF O75030 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL31052685 0.75 KDM4E (0.39) GRK6ALDH1A1IRAK1IRAK4HPGD
SCHEMBL2791668 0.72 PKM (0.62) PKMPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL5726227 0.69 MAPT (0.62) POLBGRK6ALDH1A1LMNASMN1; SMN2
SCHEMBL2062401 0.69 ALDH1A1 (0.35) LCKALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7295476 0.68 ALDH1A1 (0.50) PKMPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL3294386 0.67 TSHR (0.46) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL18109861 0.65 BACE1 (0.41) GRK6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3492762 0.63 MEN1 (0.55) POLBALDH1A1HPGDMEN1NPC1
SCHEMBL10025753 0.63 PAX8 (0.39) ALDH1A1IRAK4LMNASMN1; SMN2MAPT
SCHEMBL11781231 0.63 MMP14 (0.62) POLBALDH1A1LMNASMN1; SMN2MAPT

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-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184550-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 — — WO disclosed
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