Pyrene

Pyrene

SCHEMBL27607693

CCCCCCl.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
TDP1 Q9NUW8 5/20 0.43
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 3/20 0.37
THRB P10828 1/20 0.36
HTT P42858 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
Pyrene SCHEMBL28160595 0.98 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10HPGDCYP3A4
Pyrene SCHEMBL27718722 0.95 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10HPGDCYP3A4
Pyrene SCHEMBL28193182 0.91 ALDH1A1 (0.61) TSHRALDH1A1HSD17B10HPGDCYP3A4
Pyrene SCHEMBL28128984 0.88 ALDH1A1 (0.58) TSHRALDH1A1HSD17B10HPGDCYP3A4
Pyrene SCHEMBL8821795 0.88 ALDH1A1 (0.58) TSHRALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL27862411 0.87 ALDH1A1 (0.48) TSHRALDH1A1HSD17B10HPGDCYP1A2
Naphthalene SCHEMBL27264348 0.86 TSHR (0.57) TSHRALDH1A1CYP1A2TDP1KCNH2
Naphthalene SCHEMBL27993437 0.84 TSHR (0.62) TSHRALDH1A1CYP1A2TDP1KCNH2
Naphthalene SCHEMBL28243813 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4TDP1KCNH2
Pyrene SCHEMBL16192570 0.84 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10HPGDCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102566281-B Hardmask composition and method of forming patterns and semiconductor integrated circuit device including the patterns CHEIL IND INC 2015-05-27 CN disclosed
CN-102566281-A Hardmask composition and method of forming patterns and semiconductor integrated circuit device including the patterns CHEIL IND INC 2012-07-11 CN disclosed
CN-1646660-A Hole transport polymers and devices made with such polymers DU PONT (US) 2005-07-27 CN disclosed