SCHEMBL19033196

SCHEMBL19033196

C[n+]1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc[n+](CCC(=O)O)cc5)cc4)nc(-c4ccc(-c5cc[n+](CCC(=O)O)cc5)cc4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ SLC22A3 O75751 1/20 0.39
▸ QDPR P09417 2/20 0.37
▸ APOBEC3A P31941 2/20 0.36
▸ APOBEC3G Q9HC16 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ EIF4H Q15056 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL18883321 0.89 SLC22A2 (0.48) SLC6A4SLC22A2SLC22A1SLC22A3QDPR
Hydrochloric Acid SCHEMBL2872667 0.87 SLC22A2 (0.47) SLC6A4SLC22A2SLC22A1SLC22A3QDPR
SCHEMBL13974634 0.80 FFAR1 (0.42) CYP1A2LMNAFFAR1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8960715 0.78 FFAR1 (0.41) CYP1A2LMNAFFAR1RAB9ASMN1; SMN2
SCHEMBL19033231 0.78 SLC6A4 (0.54) SLC6A4SLC22A2SLC22A1SLC22A3QDPR
SCHEMBL13196417 0.76 MEN1 (0.50) SLC6A4SLC22A2SLC22A1SLC22A3CYP1A2
SCHEMBL17694934 0.75 RXRA (0.39) CYP1A2FFAR1SMN1; SMN2ALOX15
SCHEMBL12905328 0.75 CYP1A2 (0.42) CYP1A2LMNAFFAR1RAB9ASMN1; SMN2
SCHEMBL14557463 0.75 FFAR1 (0.52) SLC6A4SLC22A2SLC22A1SLC22A3CYP1A2
SCHEMBL20524253 0.74 SLC22A2 (0.52) SLC6A4SLC22A2SLC22A1SLC22A3QDPR

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-9688706-B2 Electrochromic compound, electrochromic composition, display element, and dimming element RICOH COMPANY, LTD. (JP) 2017-06-27 — — US disclosed
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