SCHEMBL6912475

SCHEMBL6912475

CC(=Nc1ccccc1)c1cccc(C(C)=Nc2c(C(C)C)cc(C)cc2C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
IDE P14735 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ALOX12 P18054 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL6910795 0.92 GABRA1 (0.33) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL5589024 0.92 GABRA1 (0.33) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL5590045 0.90 GABRA1 (0.33) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL6916144 0.90 KMT2A (0.34) NOS3NOS1SMN1; SMN2MEN1MAPT
SCHEMBL6916141 0.90 KMT2A (0.34) NOS3NOS1SMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL7176931 0.89 GABRA1 (0.32) MEN1KMT2ALMNAHSP90AA1HIF1A
Hydrochloric Acid SCHEMBL7176822 0.89 GABRA1 (0.32) MEN1KMT2ALMNAHSP90AA1HIF1A
Hydrochloric Acid SCHEMBL7180672 0.89 GABRA1 (0.32) MEN1KMT2ALMNAHSP90AA1HIF1A
Hydrochloric Acid SCHEMBL7178317 0.89 GABRA1 (0.32) MEN1KMT2ALMNAHSP90AA1HIF1A
Hydrochloric Acid SCHEMBL7175518 0.89 GABRA1 (0.32) MEN1KMT2ALMNAHSP90AA1HIF1A

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed