SCHEMBL24920157

SCHEMBL24920157

C=C(C)Cc1ccc(NC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
PLAU P00749 1/20 0.36
PTPN1 P18031 1/20 0.33

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
SCHEMBL22059792 0.85 RXFP1 (0.38) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL12840774 0.81 POLB (0.53) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL6015468 0.78 ALDH1A1 (0.38) TDP1ALDH1A1THRBALOX15HSD17B10
SCHEMBL13514007 0.77 PTPN1 (0.56) TDP1ALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL9911354 0.77 MEN1 (0.50) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL18090988 0.77 RXFP1 (0.47) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL12667382 0.76 RXFP1 (0.46) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL2754828 0.75 TDP1 (0.50) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL2971862 0.74 TDP1 (0.54) RXFP1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL9636849 0.74 IDO1 (0.45) ALDH1A1L3MBTL1LMNASMN1; SMN2NLRP3

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
WO-2023006782-A1 CONJUGATING REAGENTS AND CONJUGATES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-02-02 WO disclosed