SCHEMBL17384311

SCHEMBL17384311

CCc1cc(C[n+]2ccc(-c3cc[n+](CC)cc3)cc2)cc(C[n+]2ccc(-c3cc[n+](CC)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 7/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL19661292 0.94 CHKA (0.47) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL17384309 0.87 CHKA (0.42) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL29308052 0.87 CHKA (0.42) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL19661291 0.85 BCHE (0.56) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL19663881 0.84 PABPC1 (0.44) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL17384308 0.79 RAB9A (0.50) CHKAKDM4ERAB9AALDH1A1BCHE
SCHEMBL17933669 0.78 ALDH1A1 (0.68) CHKAKDM4ERAB9AALDH1A1TP53
SCHEMBL1305882 0.78 MEN1 (0.54) CHKAKDM4ERAB9AALDH1A1BCHE
Hydrochloric Acid SCHEMBL2463394 0.77 ALDH1A1 (0.71) CHKAKDM4ERAB9AALDH1A1MEN1
Bromide SCHEMBL483094 0.76 MEN1 (0.52) CHKAKDM4ERAB9AALDH1A1BCHE

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
WO-2015193301-A1 AN ELECTROCHROMIC MATERIAL, AND AN ELECTROCHROMIC PARTICLE AND AN ELECTROCHROMIC DEVICE COMPRISING THE SAME IRIDOS LTD. (KR) 2015-12-23 — — WO disclosed
Send feedback