SCHEMBL11048672

SCHEMBL11048672

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 3/20 0.49
CYP2C9 P11712 1/20 0.40
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
VCP P55072 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DGAT1 O75907 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL11048678 1.00 MAPT (0.49) MAPTMEN1KMT2ATDP1POLB
SCHEMBL11110515 0.91 TSHR (0.41) MAPTMEN1KMT2ATDP1POLB
SCHEMBL11110512 0.91 TSHR (0.41) MAPTMEN1KMT2ATDP1POLB
SCHEMBL9837935 0.85 MAPT (0.46) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL9837944 0.85 MAPT (0.46) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL11045864 0.84 VCAM1 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL11045872 0.84 VCAM1 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL6688383 0.84 CYP2C9 (0.40) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL11111534 0.82 CYP2C9 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL11111540 0.82 CYP2C9 (0.39) MAPTMEN1KMT2ACYP2C9ALDH1A1

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-4456545-A Dichroitic anthraquinone dyestuffs useful in liquid crystalline dielectrics and electro-optical indicator elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-06-26 US disclosed