SCHEMBL19901491

SCHEMBL19901491

CC(C)(C)c1ccc(C#N)c(-c2cccc3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4C(C)(C)C)ccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.38
FNTB P49356 7/20 0.38
PGGT1B P53609 7/20 0.38
GPR84 Q9NQS5 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
PIM1 P11309 2/20 0.33
MCL1 Q07820 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL15853136 0.78 FNTA (0.50) FNTAFNTBPGGT1BSLC22A12MCL1
SCHEMBL19901419 0.75 AR (0.38) CYP11B1CYP11B2ALDH1A1GABRA1GABRG2
SCHEMBL15853137 0.73 ALDH1A1 (0.46) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL15853131 0.73 XDH (0.46) FNTAFNTBPGGT1BXDHSLC22A12
SCHEMBL24617126 0.71 AR (0.39) GPR84XDHSLC22A12ALDH1A1
SCHEMBL15853159 0.71 ALDH1A1 (0.43) XDHNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21671240 0.70 MCL1 (0.45) FNTAFNTBPGGT1BXDHPIM1
SCHEMBL21671250 0.70 MCL1 (0.45) FNTAFNTBPGGT1BXDHPIM1
SCHEMBL24067824 0.69 ALDH1A1 (0.38) FNTAFNTBPGGT1BGPR84XDH
SCHEMBL19901509 0.69 CYP11B1 (0.39) GPR84SLC22A12CYP11B1CYP11B2GABRA1

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-9905776-B2 Pyrene-based compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed