SCHEMBL24696364

SCHEMBL24696364

C=C(C)c1cc(CCC2CCCCC2)nc2cc(C(=O)OCC)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FAAH O00519 8/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 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
▸ PPP1CA P62136 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 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
SCHEMBL24696368 0.99 KDM4E (0.40) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24695974 0.90 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24696344 0.89 KDM4E (0.38) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24695642 0.87 KDM4E (0.38) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24696353 0.86 KDM4E (0.42) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24696124 0.85 SMN1; SMN2 (0.38) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24696376 0.85 KDM4E (0.41) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24696358 0.85 KDM4E (0.43) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24695814 0.85 HPGD (0.41) ALDH1A1KDM4EHPGDPOLBSMN1; SMN2
SCHEMBL24695832 0.84 KDM4E (0.37) ALDH1A1KDM4EHPGDPOLBSMN1; 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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