SCHEMBL24695607

SCHEMBL24695607

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL24696248 0.90 KDM4E (0.38) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695994 0.90 KDM4E (0.37) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24696359 0.89 KDM4E (0.36) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24696344 0.89 KDM4E (0.38) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695642 0.89 KDM4E (0.38) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695974 0.88 SMN1; SMN2 (0.39) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695608 0.87 KDM4E (0.42) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695602 0.86 POLB (0.42) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695843 0.85 KDM4E (0.35) KDM4EHPGDALDH1A1POLBKMT2A
SCHEMBL24695605 0.84 KDM4E (0.41) KDM4EHPGDALDH1A1POLBKMT2A

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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