SCHEMBL24696344

SCHEMBL24696344

C=C(C)c1cc(CC2CCCC2)nc2cc(C(=O)OCC)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FAAH O00519 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NR2F2 P24468 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ XBP1 P17861 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
SCHEMBL24695974 0.99 SMN1; SMN2 (0.39) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24695642 0.98 KDM4E (0.38) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24695994 0.93 KDM4E (0.37) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24696359 0.92 KDM4E (0.36) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24696248 0.91 KDM4E (0.38) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24695843 0.90 KDM4E (0.35) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24696368 0.90 KDM4E (0.40) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24696049 0.90 ALOX5 (0.34) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24696364 0.89 ALDH1A1 (0.40) KDM4EALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL24695607 0.89 KDM4E (0.40) KDM4EALDH1A1POLBHPGDSMN1; 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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