SCHEMBL24696124

SCHEMBL24696124

C=C(C)c1cc(COC2CCCCCC2)nc2cc(C(=O)OCC)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FAAH O00519 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NR2F2 P24468 1/20 0.34

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
SCHEMBL24695832 0.99 KDM4E (0.37) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695974 0.87 SMN1; SMN2 (0.39) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696130 0.87 SMN1; SMN2 (0.40) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696129 0.86 SMN1; SMN2 (0.39) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696344 0.86 KDM4E (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695833 0.86 KDM4E (0.39) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696364 0.85 ALDH1A1 (0.40) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695831 0.85 KDM4E (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696128 0.84 SMN1; SMN2 (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696368 0.84 KDM4E (0.40) SMN1; SMN2FAAHALDH1A1KDM4EHPGD

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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