SCHEMBL30567671

SCHEMBL30567671

Cc1ccc(-c2cc(N)n(C)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41

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
SCHEMBL25406780 1.00 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL26847516 0.84 HPGDS (0.39) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL25409385 0.79 KLK3 (0.57) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL13974502 0.78 MAPT (0.66) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL30567672 0.78 KCNH2 (0.48) MAPTMEN1KMT2APIK3CAPIK3CD
SCHEMBL25406855 0.78 KCNH2 (0.48) MAPTMEN1KMT2APIK3CAPIK3CD
SCHEMBL2689845 0.76 CYP2A6 (0.54) MEN1CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL2684541 0.76 MAP4K4 (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL13860615 0.75 UHRF1 (0.35) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1852996 0.73 KLK3 (0.44) NPC1RAB9AMAPTMEN1KMT2A

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
CN-116615425-A Compounds and compositions as Sppl2a inhibitors 诺华股份有限公司 2023-08-18 — — CN disclosed
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