SCHEMBL30780976

SCHEMBL30780976

NCCCc1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CSNK2A1 P68400 4/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HPGD P15428 1/20 0.43
KMO O15229 2/20 0.42
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PDE4B Q07343 1/20 0.39

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
Hydrochloric Acid SCHEMBL20187737 0.80 HTR2C (0.44) HTR2CHTR2BPDE4B
SCHEMBL19904536 0.79 CSNK2A1 (0.64) GLASMN1; SMN2CSNK2A1KMOPNMT
SCHEMBL3718825 0.79 HPGD (0.46) CSNK2A1HTR2CHTR2BHPGDKMO
SCHEMBL171697 0.79 HPGD (0.46) GLASMN1; SMN2CSNK2A1HTR2CHTR2B
SCHEMBL1391511 0.79 HPGD (0.51) SMN1; SMN2CSNK2A1HTR2CHTR2BHPGD
SCHEMBL9398865 0.78 SMN1; SMN2 (0.47) GLASMN1; SMN2CSNK2A1HPGD
SCHEMBL18910042 0.78 FFAR4 (0.58) HPGDKMO
SCHEMBL27339720 0.77 HPGD (0.47) CSNK2A1HTR2CHTR2BHPGDKMO
SCHEMBL27341403 0.76 HTR1A (0.45) HTR2CHTR2BPDE4B
SCHEMBL18910063 0.76 KMO (0.46) HPGDKMOPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed