SCHEMBL24695831

SCHEMBL24695831

CCOC(=O)c1cc2nc(COC3CCCC3)cc(Cl)n2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FAAH O00519 3/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CSNK1D P48730 1/20 0.35

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
SCHEMBL24696129 0.99 SMN1; SMN2 (0.39) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24695833 0.88 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24696130 0.88 SMN1; SMN2 (0.40) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24695832 0.86 KDM4E (0.37) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24695823 0.86 KDM4E (0.37) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24696340 0.85 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24696124 0.85 SMN1; SMN2 (0.38) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24696128 0.85 SMN1; SMN2 (0.38) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24695971 0.84 SMN1; SMN2 (0.40) KDM4EPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL24695625 0.84 SMN1; SMN2 (0.40) KDM4EPOLBALDH1A1HPGDSMN1; SMN2

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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