SCHEMBL26894424

SCHEMBL26894424

CCCC(CC)S(=O)(=O)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ KDM4E B2RXH2 8/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTT P42858 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
SCHEMBL10175727 0.76 TSHR (0.59) TSHRATMKDM4EMEN1KMT2A
SCHEMBL6320584 0.74 KDM4E (0.61) TSHRATMKDM4EMEN1KMT2A
SCHEMBL20098112 0.73 KDM4E (0.56) TSHRATMKDM4EMEN1KMT2A
SCHEMBL22984859 0.73 TSHR (0.56) TSHRATMKDM4EMEN1KMT2A
SCHEMBL20988040 0.73 KDM4E (0.44) TSHRATMKDM4EMEN1KMT2A
SCHEMBL20372839 0.71 KDM4E (0.61) TSHRATMKDM4EMEN1KMT2A
Hydroxyamine SCHEMBL7464955 0.71 ALOX12 (0.46) TSHRATMKDM4EMEN1KMT2A
SCHEMBL1631053 0.70 TSHR (0.65) TSHRATMKDM4EMEN1KMT2A
SCHEMBL21755154 0.70 POLB (0.57) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL21536752 0.70 KDM4E (0.55) TSHRATMKDM4EMEN1KMT2A

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
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 — — WO disclosed
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 — — WO disclosed
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