SCHEMBL21077029

SCHEMBL21077029

Cc1cc(-c2cncc(Cl)c2)cc(C)c1NC(=O)C(C)(C)c1csc(NSC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.41
▸ CTPS2 Q9NRF8 4/20 0.40
▸ ATAD2 Q6PL18 1/20 0.34
▸ FFAR2 O15552 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ TMIGD3 P0DMS9 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ABL1 P00519 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
SCHEMBL21077170 0.85 CTPS1 (0.45) CTPS1CTPS2ABL1
SCHEMBL21044163 0.84 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076850 0.82 LCK (0.39) CTPS1CTPS2ATAD2ALDH1A1HPGD
SCHEMBL21077073 0.77 CTPS1 (0.48) CTPS1CTPS2KDM4E
SCHEMBL21077194 0.76 CTPS1 (0.45) CTPS1CTPS2ATAD2ABL1
SCHEMBL21077121 0.75 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL22491677 0.75 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL22762521 0.75 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077116 0.75 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL22491685 0.75 CTPS1 (0.56) CTPS1CTPS2

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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