SCHEMBL6205360

SCHEMBL6205360

Cc1c(CN)cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL14641737 0.85 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3570697 0.83 TDP1 (0.50) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3841885 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1067609 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL16803358 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL715298 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14363082 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10902775 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL961310 0.81 TSHR (0.67) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1826328 0.81 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10

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
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 EP disclosed