SCHEMBL24969280

SCHEMBL24969280

Clc1ccc2oc3c4ccccc4c(-c4ccccc4)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 8/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50
▸ TNKS O95271 1/20 0.50
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL21811018 0.88 AHR (0.51) AHRADORA3TNKSCA1CA2
SCHEMBL27010487 0.86 AHR (0.44) AHRADORA3TNKSCA1CA2
SCHEMBL25976741 0.84 AHR (0.46) AHRADORA3TNKSKMT2ALMNA
SCHEMBL23230657 0.83 AHR (0.50) AHRADORA3TNKSCA1CA2
SCHEMBL17383051 0.81 GABRP (0.50) TNKSKDM4EALDH1A1CYP1A2CYP1A1
SCHEMBL20754057 0.80 AHR (0.44) AHRADORA3TNKSCA1CA2
SCHEMBL23034141 0.79 AHR (0.53) AHRADORA3TNKSCA1CA2
SCHEMBL26320837 0.79 AHR (0.53) AHRADORA3TNKSKMT2AKDM4E
SCHEMBL30523829 0.79 AHR (0.53) AHRADORA3TNKSCA1CA2
SCHEMBL22061622 0.79 MAPK1 (0.47) AHRADORA3TNKSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149718-A1 ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-08-10 — — WO disclosed
WO-2023096225-A1 HETEROCYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE AND COMPOSITION FOR FORMING ORGANIC MATERIAL LAYER, COMPRISING SAME 엘티소재주식회사 2023-06-01 — — WO disclosed
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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