SCHEMBL28345653

SCHEMBL28345653

NCCCc1ccsc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LTB4R Q15722 6/20 0.40
GRIK1 P39086 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRC P08575 1/20 0.38
AXL P30530 1/20 0.38
LMNA P02545 1/20 0.38
ABCC1 P33527 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL2232945 0.89 HMGB1 (0.43) GRIK1PTPN2PTPN1PTPRCAXL
SCHEMBL5323308 0.84 LTB4R (0.41) LTB4RGRIK1PTPN2PTPN1PTPRC
SCHEMBL27675976 0.82 GPR35 (0.49) LTB4RAXLLMNAABCC1
SCHEMBL4732259 0.81 PTPN2 (0.43) GRIK1PTPN2PTPN1PTPRCAXL
SCHEMBL4371004 0.81 LTB4R (0.44) LTB4RPTPN2PTPN1PTPRCAXL
SCHEMBL30544 0.81 GPR35 (0.55) LTB4RABCC1
SCHEMBL23142270 0.80 KMT2A (0.49) TSHRKMT2A
SCHEMBL4196235 0.79 PTPN1 (0.42) LTB4RGRIK1PTPN2PTPN1PTPRC
SCHEMBL8516407 0.79 GPR35 (0.57) LTB4R
SCHEMBL17353545 0.79 GPR35 (0.57) LTB4R

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-110511220-A As the para diaminobenzene derivative of potassium channel modulating agents, preparation method and its application in medicine SHANGHAI ZHIMENG PHARMACEUTICAL TECH CO LTD 2019-11-29 CN disclosed