SCHEMBL24696248

SCHEMBL24696248

C=C(C)c1cc(CC2CCC(F)CC2)nc2cc(C(=O)OCC)nn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL24695994 0.92 KDM4E (0.37) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24696359 0.91 KDM4E (0.36) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24695642 0.91 KDM4E (0.38) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24696344 0.91 KDM4E (0.38) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24695974 0.90 SMN1; SMN2 (0.39) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24695607 0.90 KDM4E (0.40) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24695843 0.88 KDM4E (0.35) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24696246 0.86 KDM4E (0.40) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24696049 0.85 ALOX5 (0.34) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL24696245 0.85 KDM4E (0.39) KDM4EPOLBALDH1A1HPGDKMT2A

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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