SCHEMBL30588697

SCHEMBL30588697

CCc1cccc(CC)c1-c1cc(Cl)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.59
HSP90AB1 P08238 7/20 0.59
KDM4E B2RXH2 2/20 0.51
ADCY10 Q96PN6 11/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.42

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
SCHEMBL26127106 1.00 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EADCY10SMN1; SMN2
SCHEMBL22501986 0.80 HSP90AA1 (0.66) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
Hydrochloric Acid SCHEMBL22502036 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
SCHEMBL4282276 0.75 HSP90AB1 (0.60) HSP90AA1HSP90AB1KDM4EADCY10SMN1; SMN2
SCHEMBL3951313 0.74 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EADCY10
SCHEMBL22502009 0.74 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EADCY10KMT2A
SCHEMBL4211927 0.74 HSP90AA1 (0.73) HSP90AA1HSP90AB1KDM4EADCY10
SCHEMBL28043877 0.73 HSP90AA1 (0.59) HSP90AA1HSP90AB1KDM4EADCY10
SCHEMBL14413009 0.72 HSP90AB1 (0.62) HSP90AA1HSP90AB1KDM4EADCY10SMN1; SMN2
SCHEMBL24298821 0.72 ADCY10 (0.50) HSP90AA1HSP90AB1KDM4EADCY10SMN1; SMN2

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
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed