SCHEMBL8545787

SCHEMBL8545787

CC(C)(C)c1c(F)ccc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 3/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL23908495 0.88 ALDH1A1 (0.38) L3MBTL1TDP1TSHRALDH1A1GAA
SCHEMBL8547117 0.82 KMT2A (0.37) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL17558407 0.77 EPHX2 (0.37) L3MBTL1TDP1TSHRALDH1A1GAA
SCHEMBL667585 0.76 TSHR (0.54) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL28046081 0.76 KMT2A (0.44) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL8545917 0.76 DGAT1 (0.41) L3MBTL1KMT2AKDM4EDGAT1ALDH1A1
SCHEMBL28212323 0.73 TDP1 (0.41) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL4694814 0.72 RAB9A (0.43) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL7857028 0.72 TDP1 (0.41) L3MBTL1KMT2APOLBKDM4ECTDSP1
SCHEMBL8545557 0.71 ALDH1A1 (0.46) KMT2ATDP1TSHRALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed