SCHEMBL28979397

SCHEMBL28979397

CCCCC(N)(Cl)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
PNMT P11086 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
FDPS P14324 1/20 0.41
IDO1 P14902 4/20 0.41
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL28321512 0.77 SLC6A2 (0.48) SIGMAR1TAAR1SMN1; SMN2
SCHEMBL140913 0.75 S1PR1 (0.50) SIGMAR1FDPS
SCHEMBL12215710 0.74 SLC6A2 (0.61) SIGMAR1PNMTTAAR1FDPSIDO1
SCHEMBL28234979 0.74 L3MBTL1 (0.43) SIGMAR1PNMTTAAR1IDO1SMN1; SMN2
SCHEMBL9776156 0.73 ARG1 (0.47) SIGMAR1FDPSSMN1; SMN2ALOX15ALDH1A1
SCHEMBL9177318 0.72 SIGMAR1 (0.62) SIGMAR1PNMTTAAR1IDO1GLA
SCHEMBL2303980 0.72 IDO1 (0.50) SIGMAR1PNMTTAAR1FDPSIDO1
SCHEMBL28862222 0.72 MEN1 (0.42) SIGMAR1PNMTTAAR1IDO1SMN1; SMN2
SCHEMBL15231686 0.72 IDO1 (0.54) SIGMAR1PNMTTAAR1FDPSIDO1
SCHEMBL1448394 0.71 SIGMAR1 (0.63) SIGMAR1PNMTTAAR1IDO1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358419-B Synthesis process of 3, 4-dichlorophenyl isocyanate 浙江丽水有邦新材料有限公司 2023-04-07 CN claimed
CN-112358419-A Synthesis process of 3, 4-dichlorophenyl isocyanate 浙江丽水有邦新材料有限公司 2021-02-12 CN claimed
CN-112358419-B Synthesis process of 3, 4-dichlorophenyl isocyanate 浙江丽水有邦新材料有限公司 2023-04-07 CN disclosed
CN-112358419-A Synthesis process of 3, 4-dichlorophenyl isocyanate 浙江丽水有邦新材料有限公司 2021-02-12 CN disclosed
CN-112358419-A Synthesis process of 3, 4-dichlorophenyl isocyanate 浙江丽水有邦新材料有限公司 2021-02-12 CN disclosed