SCHEMBL11535555

SCHEMBL11535555

CC(C)CNN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ERCC1 P07992 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ TERT O14746 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL11529213 0.79 PRMT1 (0.39) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL11531118 0.79 L3MBTL1 (0.43) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16864815 0.77 L3MBTL1 (0.49) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL22649171 0.76 CYP1A2 (0.46) L3MBTL1RAB9AKDM4EALDH1A1LMNA
SCHEMBL11533449 0.76 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL11529280 0.76 L3MBTL1 (0.45) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL9006366 0.70 ALDH1A1 (0.65) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16864776 0.70 NTRK1 (0.43) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL11778537 0.66 FEN1 (0.65) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16864773 0.66 NPC1 (0.38) L3MBTL1NPC1RAB9AKDM4EALDH1A1

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-4139532-A OPTICAL BRIGHTENERS FOR POLYESTERS AND THEIR BLENDS WITH COTTON BASF AKTIENGESELLSCHAFT (DE) 1979-02-13 — — US disclosed
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