SCHEMBL8313252

SCHEMBL8313252

CC(C)N(C)c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HSPB1 P04792 1/20 0.37
VCAM1 P19320 1/20 0.37
HSD11B1 P28845 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27897201 0.81 TDP1 (0.47) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL26119628 0.79 KMT2A (0.42) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL27010079 0.78 TAAR1 (0.38) TDP1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL21001071 0.78 TDP1 (0.47) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL27805782 0.76 TDP1 (0.45) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL27422713 0.73 TDP1 (0.58) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL2624225 0.73 HSD17B10 (0.47) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL14200052 0.73 TDP1 (0.48) TDP1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL8317898 0.70 AOC3 (0.34) TDP1TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL20438397 0.70 TDP1 (0.46) TDP1KMT2ATSHRMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 WO disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed