SCHEMBL24695814

SCHEMBL24695814

C=C(C)c1cc(C2CCCCC2)nc2cc(C(=O)OCC)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CSNK1D P48730 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ FAAH O00519 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ NR2F2 P24468 1/20 0.36

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
SCHEMBL24696364 0.85 ALDH1A1 (0.40) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL24695974 0.85 SMN1; SMN2 (0.39) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695813 0.84 KDM4E (0.43) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695995 0.84 KDM4E (0.43) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24696124 0.84 SMN1; SMN2 (0.38) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24696368 0.84 KDM4E (0.40) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695811 0.84 HPGD (0.42) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695810 0.84 HPGD (0.42) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695637 0.84 HPGD (0.42) HPGDKDM4EALDH1A1POLBCSNK1D
SCHEMBL24695991 0.84 HPGD (0.42) HPGDKDM4EALDH1A1POLBCSNK1D

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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