SCHEMBL3956065

SCHEMBL3956065

c1ccc(-c2ccccc2CC2(OCCN3CCOCC3)CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ DRD1 P21728 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL1111733 0.87 KDM4E (0.47) KDM4ENPC1RAB9APOLBL3MBTL1
SCHEMBL1111945 0.76 KDM4E (0.43) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL1111731 0.76 KDM4E (0.45) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL29415418 0.68 HTR7 (0.69) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL28195866 0.68 HTR7 (0.69) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL14028115 0.68 LTA4H (0.46) KDM4ENPC1RAB9APOLBDRD1
SCHEMBL13503692 0.66 OPRM1 (0.45) KDM4ENPC1RAB9APOLBDRD1
SCHEMBL11120309 0.65 SIGMAR1 (0.79) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4857927 0.65 USP2 (0.88) KDM4EPOLBL3MBTL1USP2ALDH1A1
SCHEMBL11663287 0.64 USP2 (0.81) KDM4EPOLBL3MBTL1USP2ALDH1A1

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-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 — — WO disclosed
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