SCHEMBL20016366

SCHEMBL20016366

C=C(C)Nc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
BRD4 O60885 1/20 0.49
POLB P06746 1/20 0.49
CREBBP Q92793 1/20 0.49
MAPT P10636 3/20 0.45
PAX8 Q06710 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR2 P41597 6/20 0.42
HTR7 P34969 1/20 0.42
ADRA1B P35368 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL18324695 0.92 ALDH1A1 (0.55) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324705 0.83 KDM4E (0.52) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18325013 0.78 KDM4E (0.53) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324980 0.77 KDM4E (0.56) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324710 0.77 KDM4E (0.57) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324702 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324679 0.72 KDM4E (0.64) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324897 0.71 KDM4E (0.60) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL18324801 0.71 KDM4E (0.61) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL25252905 0.71 TSHR (0.54) ALDH1A1KDM4EBRD4POLBCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed