SCHEMBL4726976

SCHEMBL4726976

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CBr)n3)cc2)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
ADRB3 P13945 2/20 0.33
ALDH1A1 P00352 5/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR1 P21453 1/20 0.31
ATP4A P20648 6/20 0.31
ATP4B P51164 6/20 0.31
LTA4H P09960 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4729235 0.92 PTPN1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4726316 0.89 PTPN1 (0.38) PTPN1PTPN2ADRB3ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5999810 0.88 PTPN1 (0.36) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4729099 0.85 PTPN1 (0.37) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4781493 0.83 PTPN1 (0.38) PTPN1PTPN2ALDH1A1RAB9AMEN1
SCHEMBL6000635 0.82 PTPN1 (0.49) PTPN1PTPN2MEN1KMT2AL3MBTL1
SCHEMBL4725515 0.81 L3MBTL1 (0.55) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL4781642 0.81 MAPT (0.46) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6000424 0.80 PTPN1 (0.41) PTPN1PTPN2ADRB3ALDH1A1RAB9A
SCHEMBL6000825 0.80 PTPN1 (0.39) PTPN1PTPN2ADRB3ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033932-A2 BIARYLTHIAZOLE CARBOXYLIC ACID DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASE-IB INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed
WO-2008033932-A2 BIARYLTHIAZOLE CARBOXYLIC ACID DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASE-IB INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed