SCHEMBL13816225

SCHEMBL13816225

C=C(I)/C=C\c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ PMP22 Q01453 1/20 0.36

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
SCHEMBL2961735 0.82 TSHR (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL8859640 0.82 ALDH1A1 (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL8349013 0.82 TSHR (0.45) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL26539118 0.80 ALDH1A1 (0.43) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL17682919 0.80 TSHR (0.43) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL13645559 0.79 ALDH1A1 (0.39) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL20373431 0.78 TSHR (0.42) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL10259134 0.77 CYP1A1 (0.47) RAB9AKDM4EMEN1KMT2ATP53
SCHEMBL8349679 0.77 RAB9A (0.41) TSHRALDH1A1RAB9AKDM4EAPOBEC3A
SCHEMBL903372 0.77 RAB9A (0.41) TSHRALDH1A1RAB9AKDM4EAPOBEC3A

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
EP-2067767-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 — — EP disclosed
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