SCHEMBL17895727

SCHEMBL17895727

CCCOc1ccncc1[C@](O)(CCC)c1nc2ccc(Br)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.36
▸ NPC1 O15118 7/20 0.36
▸ HPGD P15428 3/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ GCGR P47871 2/20 0.31

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
SCHEMBL17895677 1.00 RAB9A (0.36) RAB9ANPC1HPGDCSNK1DLMNA
SCHEMBL17895710 1.00 RAB9A (0.36) RAB9ANPC1HPGDCSNK1DLMNA
SCHEMBL17895561 0.93 RAB9A (0.36) RAB9ANPC1HPGDCSNK1DCYP3A4
SCHEMBL17895612 0.90 CSNK1D (0.41) RAB9ANPC1CSNK1DCYP3A4PPARA
SCHEMBL29898499 0.87 CNR2 (0.38) CSNK1DPPARADYRK1A
SCHEMBL17895622 0.87 CNR2 (0.38) CSNK1DPPARADYRK1A
SCHEMBL17895696 0.85 NPC1 (0.40) RAB9ANPC1CSNK1DLMNACYP3A4
SCHEMBL17895735 0.84 MAPT (0.30) SMN1; SMN2MAPT
SCHEMBL17895719 0.82 PPARA (0.36) RAB9ANPC1CSNK1DCYP3A4PPARA
SCHEMBL17895647 0.82 HCRTR1 (0.38) RAB9ANPC1HPGDCSNK1DLMNA

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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