SCHEMBL30685011

SCHEMBL30685011

C=CC(=O)Nc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.60
▸ TGM2 P21980 4/20 0.55
▸ KMT2A Q03164 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ F13A1 P00488 1/20 0.52
▸ TGM1 P22735 1/20 0.52
▸ TGM3 Q08188 1/20 0.52
▸ CXCR1 P25024 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL11808631 1.00 EGFR (0.60) EGFRTGM2KMT2AHTTLMNA
SCHEMBL613090 0.86 TGM2 (0.65) EGFRTGM2LMNAF13A1TGM1
SCHEMBL31228347 0.86 TGM2 (0.65) EGFRTGM2LMNAF13A1TGM1
SCHEMBL5488606 0.85 TGM2 (0.51) EGFRTGM2KMT2AHTTLMNA
SCHEMBL19279109 0.82 TGM2 (0.49) EGFRTGM2LMNAF13A1TGM1
SCHEMBL2097424 0.79 KMT2A (0.60) EGFRKMT2AHTTLMNAMEN1
SCHEMBL413017 0.78 MMP1 (0.59) TGM2KMT2AHTTLMNAMEN1
SCHEMBL9357321 0.78 TGM2 (0.57) EGFRTGM2LMNAF13A1TGM1
SCHEMBL2761954 0.78 TGM2 (0.62) EGFRTGM2KMT2ALMNAMEN1
SCHEMBL17443378 0.78 TGM2 (0.57) EGFRTGM2LMNAF13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955381-A Pyrazole compound as well as preparation method and application thereof 赣南师范大学 2024-11-15 — — CN claimed
CN-118955381-A Pyrazole compound as well as preparation method and application thereof 赣南师范大学 2024-11-15 — — CN disclosed
CN-117263760-A Method for synthesizing tetrahydrobenzene-1-formamide compound by photocatalysis 西南医科大学 2023-12-22 — — CN disclosed
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