SCHEMBL31598565

SCHEMBL31598565

C=C(Br)C(=O)Nc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CNR1 P21554 1/20 0.42
TRPV1 Q8NER1 3/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
IDO1 P14902 1/20 0.41
EPHX2 P34913 2/20 0.41
EPHX1 P07099 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FPR2 P25090 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL31598552 0.82 ALDH1A1 (0.57) CA12CA1CA2CA9EPHX1
SCHEMBL31598547 0.82 MEN1 (0.55) CA12CA1CA2CA9CNR1
SCHEMBL10716368 0.80 CA12 (0.43) CA12CA1CA2CA9CNR1
SCHEMBL31598537 0.80 ALDH1A1 (0.53) PTPN1ALDH1A1GAAMAPK1
SCHEMBL10718747 0.80 NPC1 (0.58) ALDH1A1
SCHEMBL10718594 0.80 NPC1 (0.53) CNR1EPHX2EPHX1ALDH1A1GAA
SCHEMBL9337050 0.80 MAPT (0.57) CA12CA1CA2CA9EPHX1
SCHEMBL8164496 0.80 RXFP1 (0.62) CA12CA1CA2CA9TRPV1
SCHEMBL10717657 0.79 SMN1; SMN2 (0.54) PTPN1PTPN11EPHX2EPHX1HDAC1
SCHEMBL31598573 0.78 GPR35 (0.47) CA12CA1CA2CA9TRPV1

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
CN-120058548-A Alpha-bromo-acrylamide compound and application thereof 陕西省生物农业研究所 2025-05-30 CN disclosed