SCHEMBL24472129

SCHEMBL24472129

c1ccc(-c2ccc3cc(N(c4cccc(-c5ccccc5N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5cc7ccccc7cc56)c4)c4ccc5c(c4)oc4ccccc45)ccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ANO1 Q5XXA6 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G4A P47712 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 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
SCHEMBL24471732 0.98 HCRTR1 (0.33) HCRTR1PRKDCALOX5MMP12MMP13
SCHEMBL27323978 0.94 CASP3 (0.34) HCRTR1PRKDCALOX5ANO1PLA2G2A
SCHEMBL24471747 0.94 HCRTR1 (0.35) HCRTR1PRKDCALOX5MMP12MMP13
SCHEMBL24472393 0.94 HCRTR1 (0.35) HCRTR1PRKDCALOX5MMP12MMP13
SCHEMBL24471713 0.93 HCRTR1 (0.35) HCRTR1ALOX5ANO1MMP12MMP13
SCHEMBL24472577 0.93 HCRTR1 (0.35) HCRTR1PRKDCALOX5ANO1MMP12
SCHEMBL24965786 0.93 CASP3 (0.35) HCRTR1PRKDCALOX5ANO1MMP12
SCHEMBL23225291 0.93 HCRTR1 (0.36) HCRTR1ALOX5ANO1MMP12MMP13
SCHEMBL23233324 0.93 HCRTR1 (0.38) HCRTR1PRKDCALOX5ANO1MMP12
SCHEMBL27323991 0.92 HCRTR1 (0.35) HCRTR1PRKDCALOX5ANO1MMP12

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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