SCHEMBL24695974

SCHEMBL24695974

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FAAH O00519 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ PPP1CA P62136 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL24696344 0.99 KDM4E (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695642 0.97 KDM4E (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695994 0.92 KDM4E (0.37) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696359 0.91 KDM4E (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL24696364 0.90 ALDH1A1 (0.40) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696248 0.90 KDM4E (0.38) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24695843 0.89 KDM4E (0.35) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696368 0.89 KDM4E (0.40) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696049 0.89 ALOX5 (0.34) SMN1; SMN2FAAHALDH1A1KDM4EHPGD
SCHEMBL24696012 0.86 SMN1; SMN2 (0.42) SMN1; SMN2FAAHALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377674-A Pyrazolo [1,5-a ] pyrimidine compounds for the treatment of dermatological disorders 大塚制药株式会社 2024-01-09 — — CN disclosed
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