SCHEMBL17895688

SCHEMBL17895688

CCCC(O)(c1cncc(OC)c1)c1nc2ccc(Br)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 5/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ APP P05067 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ 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
▸ PPARA Q07869 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PIK3CD O00329 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
SCHEMBL17895701 0.92 TUBB4A (0.36) PIK3CGPIK3CARAB9AKCNH2NPC1
SCHEMBL17895681 0.88 NPC1 (0.38) RAB9ACSNK1DNPC1APPSMN1; SMN2
SCHEMBL17895666 0.88 APP (0.38) PIK3CGPIK3CARAB9ACSNK1DNPC1
SCHEMBL17895651 0.86 RAB9A (0.36) RAB9ACSNK1DNPC1APPCYP1A2
SCHEMBL17895599 0.83 PPARA (0.38) RAB9ACSNK1DNPC1APPSMN1; SMN2
SCHEMBL17895558 0.82 RORC (0.37) RAB9ACSNK1DNPC1SMN1; SMN2CYP1A2
SCHEMBL17895608 0.82 PIK3CG (0.39) PIK3CGPIK3CARAB9ACSNK1DKCNH2
SCHEMBL17895611 0.81 PIK3CA (0.39) PIK3CGPIK3CARAB9ANPC1SMN1; SMN2
SCHEMBL17895618 0.81 ALOX5 (0.39) PIK3CGPIK3CAALOX5
SCHEMBL17895612 0.79 CSNK1D (0.41) RAB9ACSNK1DKCNH2NPC1SMN1; 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 6 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
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 — — EP claimed
WO-2016109492-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP (US) 2016-07-07 — — WO 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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