SCHEMBL17895608

SCHEMBL17895608

CCCC(O)(c1ccc(OC)nc1)c1nc2ccc(Br)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 3/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PI4KA P42356 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ PIP5K1C O60331 1/20 0.39
▸ RAB9A P51151 4/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ KCNH2 Q12809 5/20 0.35
▸ RORC P51449 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL17895688 0.82 PIK3CG (0.38) PIK3CGPIK3CDPIK3CARAB9ACSNK1D
SCHEMBL17895558 0.80 RORC (0.37) RAB9ACSNK1DRORCNPC1CYP1A2
SCHEMBL17895681 0.80 NPC1 (0.38) PIK3CDRAB9ACSNK1DNPC1CYP1A2
SCHEMBL17895651 0.78 RAB9A (0.36) RAB9ACSNK1DNPC1CYP1A2CYP3A4
SCHEMBL17895568 0.78 CSNK1D (0.38) RAB9ACSNK1DPDE5APDE4DPDE7A
SCHEMBL17895612 0.77 CSNK1D (0.41) RAB9ACSNK1DKCNH2NPC1CYP1A2
SCHEMBL17895710 0.75 RAB9A (0.36) RAB9ACSNK1DNPC1CYP1A2CYP3A4
SCHEMBL17895727 0.75 RAB9A (0.36) RAB9ACSNK1DNPC1CYP1A2CYP3A4
SCHEMBL17895677 0.75 RAB9A (0.36) RAB9ACSNK1DNPC1CYP1A2CYP3A4
SCHEMBL17895599 0.75 PPARA (0.38) PIK3CDRAB9ACSNK1DRORCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 — — CN claimed
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 — — CN disclosed
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 — — EP disclosed
WO-2016109492-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP (US) 2016-07-07 — — WO disclosed
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