SCHEMBL24695613

SCHEMBL24695613

CC(C)c1cc(CC2CCCCC2)nc2cc(C(=O)O)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ P2RY14 Q15391 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HTR6 P50406 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ASPH Q12797 1/20 0.33
▸ RIOX2 Q8IUF8 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
SCHEMBL24696323 1.00 KDM4E (0.39) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696348 0.99 KDM4E (0.40) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696322 0.96 KDM4E (0.40) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696142 0.91 KDM4E (0.38) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696320 0.91 KDM4E (0.38) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696318 0.90 KDM4E (0.38) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696385 0.90 KDM4E (0.39) KDM4EALDH1A1KMT2AHPGDHTT
SCHEMBL24696032 0.89 KDM4E (0.38) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696321 0.89 KDM4E (0.38) KDM4EP2RY14ALDH1A1HTR6KMT2A
SCHEMBL24696374 0.89 KDM4E (0.40) KDM4EP2RY14ALDH1A1KMT2AHPGD

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
Send feedback