SCHEMBL30151541

SCHEMBL30151541

COCCOc1ccc(C(N)=O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.50
▸ HTT P42858 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AR P10275 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ EGFR P00533 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41

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
SCHEMBL2590444 0.86 HTT (0.66) MAPK1HTTLMNARAB9AKDM4E
SCHEMBL20463365 0.86 HTT (0.49) MAPK1HTTLMNARAB9AKDM4E
SCHEMBL28456328 0.86 EGFR (0.47) MAPK1HTTLMNARAB9AKDM4E
SCHEMBL25315062 0.85 MAPT (0.50) MAPK1HTTLMNARAB9AKDM4E
SCHEMBL20463473 0.85 EGFR (0.47) MAPK1HTTLMNARAB9AKDM4E
SCHEMBL6305137 0.84 MAPK1 (0.45) MAPK1HTTLMNARAB9AAR
Hydrochloric Acid SCHEMBL30460803 0.83 MAPK1 (0.44) MAPK1HTTLMNARAB9AAR
SCHEMBL6941556 0.83 MAPK1 (0.72) MAPK1HPGDPDE4DCYP1A2PDE4A
SCHEMBL4898577 0.83 MAPK1 (0.67) MAPK1HTTLMNARAB9AAR
SCHEMBL22386752 0.82 HTT (0.48) MAPK1HTTLMNARAB9AKDM4E

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-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 — — EP claimed
EP-4395769-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A TEAD INHIBITOR AND USES THEREOF FOR THE TREATMENT OF CANCERS Novartis AG (CH) 2024-07-10 — — EP disclosed
WO-2023031781-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A TEAD INHIBITOR AND USES THEREOF FOR THE TREATMENT OF CANCERS NOVARTIS AG (CH) 2023-03-09 — — WO disclosed
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