SCHEMBL28259677

SCHEMBL28259677

CCOc1ccccc1C1CCN1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HCRTR2 O43614 6/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HCRTR1 O43613 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ SSTR4 P31391 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL24775175 0.92 SMN1; SMN2 (0.49) HTR2AHTR2CHTR2BHCRTR2MAPT
SCHEMBL24775070 0.92 SMN1; SMN2 (0.49) HTR2AHTR2CHTR2BHCRTR2MAPT
SCHEMBL24774754 0.81 HTR2C (0.47) HTR2CHTR2BHCRTR2HCRTR1SMN1; SMN2
SCHEMBL24774522 0.77 HTR2A (0.39) HTR2AHCRTR2HCRTR1SMN1; SMN2ALDH1A1
SCHEMBL24774523 0.75 HSP90AA1 (0.36) SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL24775062 0.75 HTR1B (0.45) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24775174 0.75 HSP90AA1 (0.47) HTR2CALDH1A1LMNAMEN1KMT2A
SCHEMBL24775072 0.75 HSP90AA1 (0.47) HTR2CALDH1A1LMNAMEN1KMT2A
SCHEMBL23323111 0.75 SMN1; SMN2 (0.52) HTR2AHTR2CHTR2BHCRTR2HCRTR1
SCHEMBL24775443 0.74 RIPK1 (0.35) HTR2CSSTR4

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
CN-109010343-A The purposes of Pyrazolopyrimidine derivative treatment PI3K δ associated disease 因赛特公司 2018-12-18 — — CN disclosed
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