SCHEMBL16788671

SCHEMBL16788671

C[Si](C)(C)c1ccc(-n2c3cc(-c4cc5ccc6cccc7ccc(c4)c5c67)cc4ccc5cc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc2c5c43)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.32
▸ CYP1B1 Q16678 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ ERBB2 P04626 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL16788722 0.97 ALDH1A1 (0.31) CYP1A1CYP1B1CYP1A2ALDH1A1CYP3A4
SCHEMBL16788679 0.88 ERBB2 (0.34) CYP1A2ALDH1A1CYP3A4HPGDTSHR
SCHEMBL16021432 0.87 AVPR1A (0.35) CYP1A2ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL16788672 0.86 — —
SCHEMBL18744350 0.85 AVPR1A (0.40) ALDH1A1HPGDTSHRKDM4EMEN1
SCHEMBL16283233 0.83 KDM4E (0.39) CYP1A2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL16788660 0.83 ALDH1A1 (0.41) CYP1A1CYP1B1CYP1A2ALDH1A1CYP3A4
SCHEMBL16283281 0.83 KDM4E (0.38) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL16283229 0.83 KDM4E (0.38) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL16788667 0.82 ALDH1A1 (0.44) CYP1A1CYP1B1CYP1A2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-9553271-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-24 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
US-20150162540-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-11 — — US disclosed
Send feedback