SCHEMBL8556401

SCHEMBL8556401

NS(=O)(=O)c1ccccc1-c1oc(Cc2ccccc2)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
F10 P00742 1/20 0.39
NR4A2 P43354 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CA13 Q8N1Q1 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
SCHEMBL8561449 0.96 RXRA (0.40) CYP2C9CYP2C19RXRARXRBCYP1A2
SCHEMBL8559383 0.92 RXRA (0.47) RXRARXRBMAPTLMNAALDH1A1
SCHEMBL8557401 0.90 NR4A2 (0.46) RXRARXRBSMN1; SMN2L3MBTL1MAPT
SCHEMBL8553420 0.90 MAPT (0.40) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL8555966 0.90 CA12 (0.37) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL8558703 0.90 RXRA (0.49) RXRARXRBMAPTLMNAALDH1A1
SCHEMBL8553816 0.88 MAPT (0.40) RXRARXRBNPC1RAB9ASMN1; SMN2
SCHEMBL8554223 0.87 GPR55 (0.36) RXRARXRBMAPTLMNAALDH1A1
SCHEMBL8560882 0.87 MAPT (0.43) RXRARXRBMAPTLMNAALDH1A1
SCHEMBL8555226 0.86 RXRA (0.46) CYP2C9CYP2C19RXRARXRBCYP1A2

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed