SCHEMBL24072284

SCHEMBL24072284

CNc1ccc(C(=O)Nc2ncc(N)s2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.44
▸ STAT3 P40763 3/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ NPC1 O15118 7/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MITF O75030 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KIT P10721 1/20 0.39

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
SCHEMBL31665510 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MITF
SCHEMBL25142631 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MITF
SCHEMBL24072268 0.87 MAPK14 (0.47) ADORA2ASTAT3RAB9ANPC1SMN1; SMN2
SCHEMBL24073697 0.86 ADORA2A (0.45) ADORA2ASTAT3RAB9ANPC1SMN1; SMN2
SCHEMBL24073698 0.86 STAT3 (0.52) STAT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24073701 0.84 POLQ (0.47) STAT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24072763 0.83 ADORA2A (0.43) ADORA2ASTAT3RAB9ANPC1SMN1; SMN2
SCHEMBL24072273 0.81 TP53 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MITF
SCHEMBL24072282 0.81 CCNE1 (0.41) STAT3RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24072346 0.81 STAT3 (0.41) ADORA2ASTAT3RAB9ANPC1SMN1; 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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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