SCHEMBL16489389

SCHEMBL16489389

CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL30471668 0.85 MEN1 (0.42) MEN1KMT2ARXFP1DHFRCYP2C9
SCHEMBL801379 0.85 MEN1 (0.42) MEN1KMT2ARXFP1DHFRCYP2C9
SCHEMBL1154289 0.85 MEN1 (0.42) MEN1KMT2ARXFP1DHFRCYP2C9
SCHEMBL31037940 0.85 MEN1 (0.42) MEN1KMT2ARXFP1DHFRCYP2C9
SCHEMBL16489391 0.83 DHFR (0.41) KCNQ3KCNQ2MEN1KMT2ADHFR
SCHEMBL12743233 0.83 MEN1 (0.39) MEN1KMT2ARXFP1ALDH1A1HPGD
SCHEMBL20877893 0.81 PPARG (0.39) KCNQ3KCNQ2DHFRCYP2C9CYP2C19
SCHEMBL16489393 0.79 CYP2A6 (0.43) MEN1KMT2ARXFP1CYP1A2CYP2A6
SCHEMBL16489400 0.78 PRNP (0.39) MEN1KMT2ARXFP1ALDH1A1PPARG
SCHEMBL28553758 0.78 RXFP1 (0.41) MEN1KMT2ARXFP1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150048321-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-19 — — US disclosed
US-20150048321-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-19 — — US disclosed
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