SCHEMBL18153203

SCHEMBL18153203

O=C1c2ccccc2C2CC=CN12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL7542871 0.76 KDM4E (0.35) ALDH1A1RAB9AMAPTKDM4EHPGD
SCHEMBL11228949 0.76 GFER (0.42) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL11769838 0.67 ALDH1A1 (0.47) HTR2AHTR2CHTR2BALDH1A1RAB9A
SCHEMBL2311024 0.66 GABRP (0.34) —
SCHEMBL31314714 0.66 HTR2B (0.45) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL11377237 0.65 HTR2A (0.57) HTR2AHTR2CHTR2BALDH1A1RAB9A
SCHEMBL18153233 0.64 HTR2A (0.59) HTR2AHTR2CHTR2BALDH1A1RAB9A
SCHEMBL29987788 0.64 HTR2A (0.59) HTR2AHTR2CHTR2BALDH1A1RAB9A
SCHEMBL9202042 0.64 ALDH1A1 (0.41) HTR2AHTR2CHTR2BALDH1A1RAB9A
SCHEMBL11843282 0.64 HTR2A (0.37) HTR2AHTR2CHTR2BALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286195-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-02-28 — — EP claimed
WO-2016168638-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 — — WO claimed
EP-3286195-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-02-28 — — EP disclosed
WO-2016168638-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 — — WO disclosed
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