SCHEMBL22743385

SCHEMBL22743385

CC(C)c1ccc2cc3nc[nH]c3nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SCN4A P35499 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL22743050 0.75 CHEK1 (0.45) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL5526838 0.74 MAPT (0.42) KDM4EALDH1A1MAPTCYP3A4SCN10A
SCHEMBL4559086 0.74 HRH4 (0.36) KDM4EALDH1A1MAPTQPCT
SCHEMBL8013060 0.70 PRKCI (0.53) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1454701 0.69 PARP1 (0.63) ALDH1A1SMN1; SMN2ALOX15FLT1KDR
SCHEMBL28268757 0.68 RAB9A (0.40) KDM4EALDH1A1HSD17B10GAANPC1
SCHEMBL10122186 0.68 NPC1 (0.43) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL11322091 0.68 OGA (0.40) KDM4EALDH1A1HSD17B10GAANPC1
SCHEMBL25722773 0.68 PARP1 (0.31) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL22699769 0.68 KDM4E (0.41) KDM4EALDH1A1HSD17B10GAAHPGD

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-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 — — WO disclosed
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