SCHEMBL21943780

SCHEMBL21943780

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2cc(-c3cc(F)cc(F)c3)c(-c3ccc(-n4c5ccc(C(C)(C)C)cc5c5cc(C(C)(C)C)ccc54)cc3)cc2-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ PTGES O14684 2/20 0.32
▸ GCGR P47871 1/20 0.32
▸ PPARG P37231 4/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ ICMT O60725 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ TEAD1 P28347 1/20 0.31
▸ TEAD4 Q15561 1/20 0.31
▸ TEAD2 Q15562 1/20 0.31
▸ TEAD3 Q99594 1/20 0.31
▸ DNMT1 P26358 3/20 0.30
▸ DHODH Q02127 1/20 0.30

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
SCHEMBL21944386 0.88 NR1H4 (0.38) KCNH2AKR1C3AKR1C2HTR1DPTGES
SCHEMBL21944392 0.87 KCNH2 (0.35) KCNH2HTR1DPTGESPPARGNR1H4
SCHEMBL25443988 0.86 TEAD1 (0.41) KCNH2AKR1C3AKR1C2PPARGTEAD1
SCHEMBL21944073 0.84 DNMT1 (0.40) KCNH2PTGESPPARGNR1H4DNMT1
SCHEMBL21944029 0.83 NR1H4 (0.33) KCNH2HTR1DPTGESNR1H4DNMT1
SCHEMBL21944030 0.83 DNMT1 (0.39) PTGESPPARGNR1H4DNMT1
SCHEMBL21944381 0.82 ALDH1A1 (0.36) KCNH2HTR1DPTGESSCDNR1H4
SCHEMBL13232879 0.82 KCNH2 (0.41) KCNH2HTR1DPTGESPPARGNR1H4
SCHEMBL21944396 0.82 L3MBTL1 (0.43) PTGESPPARGNR1H4DNMT1
SCHEMBL21944027 0.82 KCNH2 (0.40) KCNH2HTR1DPTGESPPARGNR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145492-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KK (JP) 2023-05-11 — — US disclosed
US-20200119281-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KABUSHIKI KAISHA (JP) 2020-04-16 — — US disclosed
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