SCHEMBL17895665

SCHEMBL17895665

CCCC(O)(c1nc2ccc([N+](=O)[O-])cc2s1)c1cnccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 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
SCHEMBL17895675 0.92 KMT2A (0.41) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17895612 0.84 CSNK1D (0.41) MAPTALDH1A1HTTSMN1; SMN2POLB
SCHEMBL17895667 0.79 RAB9A (0.41) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL20965304 0.76 MAPT (0.39) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17895561 0.76 RAB9A (0.36) MAPTKMT2AALDH1A1MEN1HTT
SCHEMBL17895647 0.76 HCRTR1 (0.38) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17895609 0.76 SLC6A2 (0.39) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL17895727 0.75 RAB9A (0.36) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17895710 0.75 RAB9A (0.36) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17895677 0.75 RAB9A (0.36) MAPTKMT2AALDH1A1LMNAMEN1

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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