SCHEMBL19308071

SCHEMBL19308071

O=S(=O)(c1cccc(CNc2cc(Cl)cc(Cl)c2)c1)N1CCC(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ SLC13A5 Q86YT5 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 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
SCHEMBL15276858 0.80 SMN1; SMN2 (0.54) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL18948489 0.76 ALDH1A1 (0.63) KMT2ALMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL15076753 0.76 CNR1 (0.58) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL15276854 0.74 SMN1; SMN2 (0.57) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5252678 0.73 LMNA (0.63) KMT2ALMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL15276860 0.71 MEN1 (0.58) KMT2ASMN1; SMN2ALDH1A1MEN1CNR1
SCHEMBL21800640 0.69 SLC13A5 (0.75) KMT2ASLC13A5ALDH1A1PKMTSHR
SCHEMBL21613701 0.68 MBTD1 (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1HTR2A
SCHEMBL17014208 0.68 MBTD1 (0.52) KMT2ALMNANPSR1ALDH1A1PKM
SCHEMBL17479278 0.68 MEN1 (0.54) KMT2ALMNASMN1; SMN2NPSR1ALDH1A1

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
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 — — US disclosed
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