SCHEMBL14747440

SCHEMBL14747440

C=C(O)CCCCCN1/C(=C/C=C/c2sc3cc(S(=O)(=O)N(C)C)ccc3[n+]2CCCCS(=O)(=O)O)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ HRH2 P25021 5/20 0.35
▸ CHRM1 P11229 4/20 0.35
▸ CHRM3 P20309 4/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ BDKRB2 P30411 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
SCHEMBL1105687 0.95 PTPN1 (0.44) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL14747449 0.89 PTPN1 (0.44) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL1105707 0.88 PTPN1 (0.41) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL14747683 0.88 PTPN1 (0.37) PTPN1CHRM1CHRM3ADORA1OPRK1
SCHEMBL14747451 0.87 PTPN1 (0.42) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL14747442 0.86 ADORA1 (0.37) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL13165210 0.86 PTPN1 (0.39) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL1105643 0.84 PTPN1 (0.44) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL1105706 0.82 PTPN1 (0.42) PTPN1HRH2CHRM1CHRM3ADORA1
SCHEMBL14708694 0.82 PTPN1 (0.35) PTPN1CHRM1CHRM3ADORA1OPRK1

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
US-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
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