SCHEMBL24456247

SCHEMBL24456247

CC(C)c1nn(C2CCCCO2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM5A P29375 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RET P07949 5/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ SYK P43405 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL31741734 0.86 ALDH1A1 (0.36) KDM5BKDM5AALDH1A1KMT2APOLB
SCHEMBL14903851 0.81 KMT2A (0.38) KDM5BKDM5AALDH1A1KMT2APOLB
SCHEMBL23290691 0.78 KMT2A (0.38) KDM5BALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL38651558 0.78 ALDH1A1 (0.38) KDM5BALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL25189871 0.78 ALDH1A1 (0.38) KDM5BALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL1475184 0.77 ALDH1A1 (0.36) KDM5BALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL28999288 0.77 EPHX2 (0.39) KDM5BALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL21639199 0.77 ALDH1A1 (0.38) KDM5BKDM5AALDH1A1KMT2APOLB
SCHEMBL29576159 0.76 ABL1 (0.38) KDM5BRETCYP2C19FLT3SYK
SCHEMBL24456256 0.76 KDM5B (0.33) KDM5B

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-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
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