SCHEMBL7407145

SCHEMBL7407145

O=C1CCC(OC(=O)c2ccc(I)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.61
PTPN1 P18031 3/20 0.61
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
PTPRF P10586 1/20 0.45
STS P08842 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SERPINE1 P05121 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 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
SCHEMBL25490795 0.88 PTPN2 (0.71) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL5791522 0.88 PTPN2 (0.71) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL7413532 0.85 PTPN2 (0.63) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL7412257 0.83 SCN1A (0.65) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL1556598 0.83 MEN1 (0.59) SCN1ASCN2ASCN3AMAPTLMNA
SCHEMBL7411400 0.81 CA1 (0.51) SCN1ASCN2ASCN3ASTSSMN1; SMN2
SCHEMBL7412930 0.80 POLB (0.57) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL27613024 0.78 SERPINE1 (0.61) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL1839004 0.78 SCN1A (0.75) PTPN2PTPN1SCN1ASCN2ASCN3A
SCHEMBL23518961 0.74 STS (0.42) PTPN2PTPN1SCN1ASCN2ASCN3A

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed