SCHEMBL16671983

SCHEMBL16671983

Cc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C/C=C1\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)CCCCCC(=O)ON1C(=O)CCC1=O)=[N+]2CCCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.53
▸ HTR1A P08908 2/20 0.53
▸ PARP1 P09874 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.50
▸ ABL1 P00519 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ SLC16A3 O15427 1/20 0.46
▸ ADORA2A P29274 2/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ CHRM1 P11229 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ HRH2 P25021 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ MLNR O43193 1/20 0.40

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
SCHEMBL17322726 0.97 ADRB2 (0.51) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL15298605 0.97 ADRB2 (0.51) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL29355463 0.95 ADRB2 (0.58) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL15271648 0.95 ADRB2 (0.55) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL15271632 0.95 ADRB2 (0.55) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL15271642 0.95 ADRB2 (0.55) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL31551164 0.94 ADRB2 (0.58) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL13991453 0.94 ADRB2 (0.52) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL17088981 0.94 ADRB2 (0.46) ADRB2HTR1APARP1BRD4HRH3
SCHEMBL11302387 0.93 ADRB2 (0.46) ADRB2HTR1APARP1BRD4HRH3

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-9018396-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2015-04-28 — — US disclosed
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