SCHEMBL25733722

SCHEMBL25733722

Clc1ccc2sc3ccc4sc5c6ccccc6ccc5c4c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP1A1 P04798 5/20 0.48
▸ CYP1B1 Q16678 5/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2A6 P11509 1/20 0.39
▸ PIM1 P11309 5/20 0.38
▸ PIM2 Q9P1W9 3/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ AKR1B1 P15121 2/20 0.35
▸ TOP1 P11387 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ HPRT1 P00492 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL25733726 0.91 CYP1A1 (0.48) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL23024877 0.89 CYP1A1 (0.51) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL22174349 0.87 KDM4E (0.56) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL25733707 0.81 KDM4E (0.43) KDM4ECYP1A1CYP1B1CYP1A2MAPT
SCHEMBL22172198 0.81 CYP1B1 (0.52) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL24888400 0.81 KDM4E (0.51) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL25279454 0.80 KDM4E (0.46) KDM4ECYP1A1CYP1B1CYP1A2IDO1
SCHEMBL13935915 0.80 KDM4E (0.47) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL22174350 0.80 KDM4E (0.46) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6
SCHEMBL31364126 0.80 KDM4E (0.46) KDM4ECYP1A1CYP1B1CYP1A2CYP2A6

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-2023113333-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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