SCHEMBL29625567

SCHEMBL29625567

Fc1cc(-c2cccc(C(F)(F)F)c2)cc(F)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.49
▸ KDM1A O60341 1/20 0.44
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ PARP11 Q9NR21 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ SCN2A Q99250 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL29678302 0.82 TSHR (0.58) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL1263144 0.82 TSHR (0.58) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL6685777 0.81 MAOB (0.56) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL15641763 0.81 MAOB (0.47) MAOBKDM1AKIF11IDO1NOTUM
Ammonia Solution, Strong SCHEMBL20472961 0.80 MAOB (0.56) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL27978297 0.76 TSHR (0.50) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL26821702 0.76 MAOB (0.59) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL28898719 0.76 ALDH1A1 (0.45) MAOBKDM1AAKR1C3AKR1C2KIF11
SCHEMBL307920 0.76 KIF11 (0.62) MAOBKDM1AKIF11IDO1NOTUM
SCHEMBL29420699 0.76 KIF11 (0.62) MAOBKDM1AKIF11IDO1NOTUM

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
WO-2022131780-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
WO-2022131768-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
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