SCHEMBL9053795

SCHEMBL9053795

CC1(C)CC(C)(C)c2ccc(N)cc2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APAF1 O14727 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
HSPA9 P38646 1/20 0.36
SNCA P37840 1/20 0.31
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 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
SCHEMBL7195918 0.86 KDM4E (0.50) MEN1KMT2AL3MBTL1KDM4EAPAF1
Hydrochloric Acid SCHEMBL21750654 0.84 KDM4E (0.49) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL7217368 0.80 RARA (0.38) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL9446453 0.77 KDM4E (0.38) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL9295885 0.75 RARA (0.35) RARARARBRARGHSPA9
SCHEMBL9054684 0.75 RARB (0.38) KDM4ETDP1RARARARBRARG
SCHEMBL7194958 0.74 RARA (0.36) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL9053976 0.74 RARA (0.36) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL31534581 0.73 KDM4E (0.36) MEN1KMT2AL3MBTL1KDM4EAPAF1
SCHEMBL806947 0.73 KDM4E (0.36) MEN1KMT2AL3MBTL1KDM4EAPAF1

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-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed