SCHEMBL13353201

SCHEMBL13353201

CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3C)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TSHR P16473 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL12621830 0.87 ALDH1A1 (0.59) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12622116 0.85 ALDH1A1 (0.57) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12624085 0.85 ALDH1A1 (0.57) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12624082 0.84 ALDH1A1 (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12624079 0.82 ALDH1A1 (0.53) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL13353089 0.82 TSHR (0.58) ALDH1A1SMN1; SMN2TSHRUSP2KDM4E
SCHEMBL13353208 0.81 PKM (0.51) ALDH1A1SMN1; SMN2TSHRUSP2KDM4E
SCHEMBL20362792 0.80 ALDH1A1 (0.51) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12626162 0.80 GLA (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL12622095 0.80 L3MBTL1 (0.68) LMNAALDH1A1MAPTNPC1RAB9A

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-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed
Send feedback