SCHEMBL24471999

SCHEMBL24471999

c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc4-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.34
▸ ANO1 Q5XXA6 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B2 P37059 2/20 0.32
▸ PLA2G2A P14555 2/20 0.31
▸ PLA2G4A P47712 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP1A1 P04798 2/20 0.31
▸ CYP1B1 Q16678 2/20 0.31
▸ AHR P35869 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL24471713 0.97 HCRTR1 (0.35) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL24472577 0.97 HCRTR1 (0.35) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL23225291 0.97 HCRTR1 (0.36) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL24472388 0.96 HCRTR1 (0.34) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL24919362 0.96 HCRTR1 (0.38) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL23225046 0.96 HCRTR1 (0.38) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL27274205 0.96 HCRTR1 (0.37) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL24919815 0.96 HCRTR1 (0.37) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL24472267 0.95 CA12 (0.36) HCRTR1ANO1MMP12MMP13HSD17B1
SCHEMBL23180791 0.95 PLA2G2A (0.35) HCRTR1ANO1MMP12MMP13HSD17B1

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
US-20220173325-A1 LIGHT EMITTING DIODE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-02 — — US disclosed
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