SCHEMBL24696057

SCHEMBL24696057

CCC(C)c1cc(CC2CCCCC2)nc2cc(C(=O)N3CCCCC3(C)C)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.36
▸ HPGD P15428 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR6 P50406 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL24695773 0.99 CNR2 (0.37) CNR2HPGDALDH1A1KDM4ELMNA
SCHEMBL24696389 0.93 CNR2 (0.36) CNR2HPGDALDH1A1KDM4ELMNA
SCHEMBL24696160 0.93 CNR2 (0.37) CNR2HPGDALDH1A1KDM4ELMNA
SCHEMBL24696219 0.92 CNR2 (0.36) CNR2HPGDALDH1A1KDM4ELMNA
SCHEMBL24696221 0.92 CNR2 (0.38) CNR2HPGDALDH1A1KDM4ELMNA
SCHEMBL24696262 0.87 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695679 0.87 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695771 0.87 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24695589 0.87 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL24696216 0.87 HPGD (0.44) HPGDALDH1A1KDM4ELMNAHTT

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-2022255408-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUND FOR THE TREATMENT OF DERMAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-12-08 — — WO disclosed
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