SCHEMBL27370679

SCHEMBL27370679

NC(=O)c1ccccc1-c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.45
▸ TYRO3 Q06418 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45
▸ EIF4E P06730 1/20 0.44
▸ CLCN2 P51788 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ NUDT1 P36639 1/20 0.40

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
SCHEMBL29940950 0.81 BCAT2 (0.59) BCAT2KMT2AATMKDM4EALDH1A1
SCHEMBL1203519 0.81 BCAT2 (0.59) BCAT2KMT2AATMKDM4EALDH1A1
SCHEMBL210767 0.80 BCAT2 (0.74) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL30514077 0.80 BCAT2 (0.74) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL30863833 0.78 BCAT2 (0.47) BCAT2KMT2AATMKDM4EALDH1A1
SCHEMBL31012518 0.78 BCAT2 (0.71) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
Hydrochloric Acid SCHEMBL16463881 0.78 BCAT2 (0.71) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL1110181 0.78 BCAT2 (0.71) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL3672928 0.77 KDM4E (0.52) BCAT2KMT2AATMKDM4EALDH1A1
SCHEMBL4238940 0.77 KDM4E (0.52) BCAT2KMT2AATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054850-C Piperazine compounds used in therapy WELLCOME FOUND (GB) 2000-07-26 — — CN claimed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 — — CN claimed
CN-1133593-A Piperazine compounds for use in therapy WELLCOME FOUND (GB) 1996-10-16 — — CN claimed
CN-1054850-C Piperazine compounds used in therapy WELLCOME FOUND (GB) 2000-07-26 — — CN disclosed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 — — CN disclosed
CN-1133593-A Piperazine compounds for use in therapy WELLCOME FOUND (GB) 1996-10-16 — — CN disclosed
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