SCHEMBL9195253

SCHEMBL9195253

O=C1c2ccccc2C2(c3cccc4ccccc34)SCCCN12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SLC6A4 P31645 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
MDM2 Q00987 1/20 0.34
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
SLC6A2 P23975 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
PARP1 P09874 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL6362219 0.92 SLC6A3 (0.40) SLC6A3POLBMEN1KMT2ASLC6A4
SCHEMBL6362220 0.92 SLC6A3 (0.40) SLC6A3POLBMEN1KMT2ASLC6A4
SCHEMBL9701779 0.89 NPC1 (0.34) POLBMEN1KMT2ANPC1HTT
SCHEMBL9700348 0.88 CES1 (0.36) SLC6A3POLBMEN1KMT2ATSHR
SCHEMBL9701475 0.87 MDM2 (0.36) SLC6A3MEN1KMT2ASLC6A4MDM2
SCHEMBL9215403 0.85 TDP1 (0.36) SLC6A3POLBMEN1KMT2ATSHR
SCHEMBL9701851 0.83 TSHR (0.37) POLBMEN1KMT2ATSHRNPC1
SCHEMBL9700390 0.82 NPC1 (0.35) POLBMEN1KMT2ANPC1HTT
SCHEMBL9201756 0.81 NPC1 (0.48) POLBMEN1KMT2ANPC1KDM4E
SCHEMBL9199100 0.81 PARP1 (0.36) POLBMEN1KMT2ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583435-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS. WELLA AG (DE) 1994-02-23 EP claimed
WO-1993016677-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS WELLA AKTIENGESELLSCHAFT (DE) 1993-09-02 WO claimed
EP-0682523-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES Roche Diagnostics GmbH (DE) 1995-11-22 EP disclosed
EP-0583435-B1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZENES WELLA AG (DE) 1995-08-23 EP disclosed
EP-0583435-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS. WELLA AG (DE) 1994-02-23 EP disclosed
WO-1993016677-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS WELLA AKTIENGESELLSCHAFT (DE) 1993-09-02 WO disclosed
WO-1992015310-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES BOEHRINGER MANNHEIM GMBH (DE) 1992-09-17 WO disclosed