SCHEMBL23862875

SCHEMBL23862875

Cn1c(C(O)NC2(c3cccc(Br)c3)CCCN(Cc3ccccc3)C2)cc2c(Cl)c(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.35
▸ PHGDH O43175 5/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CXCR3 P49682 1/20 0.31

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
SCHEMBL19331263 0.83 PHGDH (0.50) SLC6A9PHGDHCYP2D6ALDH1A1
SCHEMBL25153797 0.75 PHGDH (0.51) SLC6A9PHGDH
SCHEMBL26373069 0.75 PHGDH (0.49) SLC6A9PHGDHCYP2D6ALDH1A1MEN1
SCHEMBL19343383 0.73 PHGDH (0.40) SLC6A9PHGDH
SCHEMBL19343573 0.73 SLC6A9 (0.50) SLC6A9CYP2D6ALDH1A1POLBMEN1
SCHEMBL23366353 0.72 SLC6A9 (0.38) SLC6A9PHGDH
SCHEMBL19331274 0.72 PHGDH (0.48) SLC6A9PHGDHCYP2D6ALDH1A1MEN1
SCHEMBL19344079 0.71 PHGDH (0.46) SLC6A9PHGDHALDH1A1MEN1LMNA
SCHEMBL23366366 0.70 SMN1; SMN2 (0.42) SLC6A9CYP2D6ALDH1A1POLBKMT2A
SCHEMBL19343446 0.70 PHGDH (0.59) SLC6A9PHGDH

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
EP-3884939-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2021-09-29 — — EP disclosed
Send feedback