SCHEMBL22144573

SCHEMBL22144573

C=C(c1ccc(C)cc1)c1cc(/C(C=N)=C/N)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.33
▸ RXRB P28702 2/20 0.33
▸ RXRG P48443 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL14538523 0.78 ALDH1A1 (0.40) MEN1KMT2AMAPTSMN1; SMN2HDAC1
SCHEMBL13439334 0.73 NQO2 (0.38) RXRARXRBMEN1KMT2AMAPT
SCHEMBL21371239 0.73 IRAK4 (0.35) IRAK4PRSS1PRSS2PRSS3
SCHEMBL26414498 0.71 TAS1R3 (0.38) MEN1KMT2ARAB9APRSS1PRSS2
SCHEMBL24711679 0.68 PARP1 (0.48) MEN1KMT2AKCNH2NPC1SMN1; SMN2
SCHEMBL16105803 0.66 NPSR1 (0.45) RXRARXRBRXRGMEN1CYP26A1
SCHEMBL20712737 0.66 PRSS1 (0.33) IRAK4PRSS1PRSS2PRSS3
SCHEMBL16105416 0.66 AKR1C3 (0.44) MEN1KMT2ANPC1SMN1; SMN2HPGD
SCHEMBL23654930 0.65 MEN1 (0.36) MEN1ADRA2AKMT2ASMN1; SMN2
SCHEMBL21371129 0.65 ESR2 (0.47) RARBPPARG

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-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 — — WO disclosed
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