SCHEMBL11516735

SCHEMBL11516735

Cc1ccc([N+](=O)[O-])c(C)c1C(OC(c1ccccc1)c1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7793971 0.79 DCTPP1 (0.44) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL11510417 0.78 TDP1 (0.53) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL11519652 0.73 ALDH1A1 (0.43) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL11521224 0.73 ESR1 (0.37) TSHRTDP1MAPTCYP2D6CYP2C9
SCHEMBL11508254 0.72 TSHR (0.40) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL384635 0.71 CYP1A2 (0.50) TSHRTDP1HSD17B10ALDH1A1MEN1
SCHEMBL10797324 0.71 TSHR (0.46) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL6642803 0.70 TSHR (0.37) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL26507120 0.69 TSHR (0.41) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL11520195 0.69 ALDH1A1 (0.35) TDP1HSD17B10ALDH1A1MEN1KMT2A

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-4171446-A Indazole compounds BOEHRINGER MANNHEIM GMBH (DE) 1979-10-16 US disclosed