SCHEMBL11672302

SCHEMBL11672302

CCCCN(c1ccccc1)C(C)OC(=O)Oc1cc(C)c(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCL1 Q07820 12/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BCL2L1 Q07817 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BCL2 P10415 2/20 0.34
▸ BAD Q92934 1/20 0.34

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
SCHEMBL11670772 0.89 MEN1 (0.40) MEN1KMT2AMCL1MAPTTP53
SCHEMBL11670856 0.88 KMT2A (0.38) MEN1KMT2AMAPTTP53NPC1
SCHEMBL11670530 0.86 LMNA (0.40) MAPTTP53NPC1JAK2RAB9A
SCHEMBL11671777 0.85 LMNA (0.42) MEN1KMT2AMAPTNPC1JAK2
SCHEMBL11670388 0.85 KDM4E (0.42) MAPT
SCHEMBL11671799 0.84 ALDH1A1 (0.39) KMT2AMAPTTP53NPC1JAK2
SCHEMBL11671507 0.83 ALDH1A1 (0.46) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL11671686 0.83 ALDH1A1 (0.40) MAPT
SCHEMBL11670579 0.82 PPARG (0.38) MEN1KMT2AMAPTNPC1JAK2
SCHEMBL11672517 0.82 TRPM8 (0.43) MEN1KMT2ANPC1RAB9A

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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