SCHEMBL23713627

SCHEMBL23713627

CN1c2ccc(C(C)(C)C)cc2N(C)c2ccc(C(C)(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 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
SCHEMBL4996062 0.94 NR1H3 (0.47) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7270780 0.90 TSHR (0.46) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10131251 0.87 NR1H3 (0.46) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL24186612 0.84 ALDH1A1 (0.39) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL20059551 0.82 NR1H3 (0.40) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL20386611 0.81 NR1H3 (0.42) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10133811 0.80 NR1H3 (0.42) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19532240 0.80 ABL1 (0.42) ALDH1A1ALOX15HSD17B10TDP1MAPT
SCHEMBL10133803 0.79 NOX1 (0.47) NR1H3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL10133794 0.79 NR1H3 (0.43) NR1H3ALDH1A1HPGDALOX15HSD17B10

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-20210240047-A1 ELECTROCHROMIC COMPOUNDS GENTEX CORPORATION (US) 2021-08-05 US disclosed