SCHEMBL20044946

SCHEMBL20044946

CC(C)[Si](C#Cc1cc2c3ccc([N+](=O)[O-])cc3ccc2c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc3c4ccccc4ccc3c12)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NQO2 P16083 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL20044978 0.80 HSD17B10 (0.38) HPRT1TSHRTDP1CYP1A2CYP3A4
SCHEMBL20044990 0.78 MEN1 (0.38) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL1527627 0.76 TSHR (0.62) HPRT1MEN1KMT2ATSHRTDP1
SCHEMBL5575186 0.75 HPRT1 (0.64) HPRT1MEN1KMT2ATSHRTDP1
SCHEMBL29903883 0.70 MEN1 (0.65) HPRT1MEN1KMT2ATSHRTDP1
SCHEMBL8623371 0.70 MEN1 (0.65) HPRT1MEN1KMT2ATSHRTDP1
SCHEMBL29450699 0.70 MEN1 (0.65) HPRT1MEN1KMT2ATSHRTDP1
SCHEMBL20044985 0.69 CACNA2D1 (0.37)
SCHEMBL12405255 0.69 CYP1A2 (0.61) HPRT1TSHRTDP1CYP1A2CYP3A4
SCHEMBL27003507 0.69 PTPN22 (0.42) HPRT1MEN1KMT2ACYP1A2NPC1

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-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed