SCHEMBL11815385

SCHEMBL11815385

O=C(O)c1cc(OC(F)(F)F)cc(SCc2cccc(I)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.46
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEP1B Q16820 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TPX2 Q9ULW0 1/20 0.38
▸ NR4A2 P43354 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ RHEB Q15382 1/20 0.36

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
SCHEMBL11820243 0.88 MRGPRX4 (0.48) MRGPRX4MEN1KMT2AHPGDKDM4E
SCHEMBL11818176 0.85 HPGD (0.49) MRGPRX4MEN1KMT2AHPGDKDM4E
SCHEMBL11818815 0.83 MRGPRX4 (0.42) MRGPRX4MEN1KMT2AHPGDKDM4E
SCHEMBL11820227 0.77 TRPV1 (0.46) MRGPRX4MEN1KMT2AHPGDALDH1A1
SCHEMBL11818108 0.76 PTPRZ1 (0.40) MRGPRX4MEN1KMT2AHPGDMEP1B
SCHEMBL11817074 0.76 DAO (0.41) MRGPRX4HPGDALDH1A1AURKATPX2
SCHEMBL11821351 0.71 AURKA (0.49) MRGPRX4MEN1KMT2AMEP1BAURKA
SCHEMBL11825039 0.71 DAO (0.53) MRGPRX4ALDH1A1NR4A2EPHX1PLA2G1B
SCHEMBL24017339 0.70 KCNK2 (0.48) MRGPRX4MEN1KMT2AAURKATPX2
SCHEMBL31550001 0.69 AURKA (0.56) MRGPRX4MEN1KMT2AALDH1A1AURKA

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-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 — — US disclosed
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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