SCHEMBL19901501

SCHEMBL19901501

CC(C)N(c1ccccc1F)c1c(F)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
PTGS1 P23219 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGS2 P35354 3/20 0.38
MAPT P10636 3/20 0.38
FABP2 P12104 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C4 P17516 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL19901366 0.97 PTGS2 (0.36) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL19901459 0.88 AKR1C3 (0.39) MAPTTSHRAKR1C3AKR1C2CYP2C9
SCHEMBL15856412 0.81 ACLY (0.33) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL19901409 0.81 PTGS2 (0.36) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL19901410 0.79 AKR1C3 (0.40) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL15856453 0.78 ACLY (0.34) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL15856421 0.78 ACLY (0.34) LMNAPTGS1MEN1KMT2APTGS2
SCHEMBL15852994 0.77 TACR1 (0.33) AKR1C3AKR1C2
SCHEMBL15853032 0.75 ACLY (0.32) PTGS2ACLY
SCHEMBL15853027 0.75 ACLY (0.32) PTGS2ACLY

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