SCHEMBL31395120

SCHEMBL31395120

COC(=O)c1ccc2c(c1)CCN(c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RAB9A P51151 4/20 0.46
▸ ACACB O00763 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ TMPRSS2 O15393 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL31395188 0.85 MAPT (0.50) MAPTSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL17869278 0.83 NPC1 (0.58) MAPTSMN1; SMN2RAB9AACACBALDH1A1
SCHEMBL19284497 0.79 ALDH1A1 (0.49) MAPTSMN1; SMN2RAB9AACACBALDH1A1
SCHEMBL25206715 0.79 DRD1 (0.50) MAPTSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL14158144 0.78 ESR1 (0.54) RAB9AALDH1A1TMPRSS2NOTUMHDAC6
SCHEMBL25574371 0.77 GPR142 (0.58) MAPTSMN1; SMN2RAB9ATMPRSS2MAPK1
SCHEMBL7865877 0.77 ACACB (0.53) SMN1; SMN2RAB9AACACBALDH1A1L3MBTL1
SCHEMBL7609691 0.77 ACACB (0.46) SMN1; SMN2RAB9AACACBALDH1A1KDM4E
SCHEMBL25207567 0.76 ADRB1 (0.46) MAPTSMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL30109340 0.76 LIPE (0.58) MAPTRAB9AALDH1A1KDM4EMAPK1

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
WO-2025049767-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed
Send feedback