SCHEMBL27362294

SCHEMBL27362294

Clc1nc(-c2ccccc2)nc(-c2ccccc2-c2cccc3sc4ccccc4c23)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ATM Q13315 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
SCHEMBL22161408 0.97 KDM4E (0.33) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL29384396 0.95 TSHR (0.36) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL17524705 0.95 TSHR (0.36) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL21563847 0.93 TSHR (0.39) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL21707261 0.92 TSHR (0.35) TSHRADORA2AADORA1ADORA3ALOX15
SCHEMBL23437159 0.91 LIMK1 (0.39) TSHRADORA2AADORA1KDM4EPOLB
SCHEMBL31189361 0.90 POLB (0.38) TSHRKDM4EPOLBCTDSP1L3MBTL1
SCHEMBL22274202 0.88 LIMK1 (0.37) TSHRADORA2AADORA1KDM4EL3MBTL1
SCHEMBL24297047 0.87 GPR3 (0.41) KDM4EPOLBCTDSP1ALDH1A1HPGD
SCHEMBL24266825 0.87 GPR3 (0.41) TSHRADORA2AADORA1ADORA3ALOX15

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-2024039056-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-02-22 — — WO disclosed
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