SCHEMBL23041644

SCHEMBL23041644

COC(=O)C(NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C)C4CC4)n(CC(O)C(F)(F)F)n3)c2)o1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ MMP13 P45452 4/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ MME P08473 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL23041643 1.00 POLB (0.35) POLBHTTRAB9AKMT2AKDM4E
SCHEMBL29452744 1.00 POLB (0.35) POLBHTTRAB9AKMT2AKDM4E
SCHEMBL23041645 1.00 POLB (0.35) POLBHTTRAB9AKMT2AKDM4E
SCHEMBL23041684 0.94 POLB (0.35) POLBKMT2AABCG2TACR3MMP13
SCHEMBL29452809 0.94 POLB (0.35) POLBKMT2AABCG2TACR3MMP13
SCHEMBL23041680 0.94 POLB (0.35) POLBKMT2AABCG2TACR3MMP13
SCHEMBL23041682 0.94 POLB (0.35) POLBKMT2AABCG2TACR3MMP13
SCHEMBL23041653 0.94 POLB (0.38) POLBKMT2AKDM4EALDH1A1ABCG2
SCHEMBL23041655 0.94 POLB (0.38) POLBKMT2AKDM4EALDH1A1ABCG2
SCHEMBL23052230 0.94 POLB (0.38) POLBKMT2AKDM4EALDH1A1ABCG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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