SCHEMBL27149789

SCHEMBL27149789

CCCCC(N)CC(Nc1nc(-c2cccnc2)nc2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ CYP1A2 P05177 7/20 0.53
▸ CYP3A4 P08684 7/20 0.53
▸ MAPT P10636 4/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CLK4 Q9HAZ1 5/20 0.52
▸ TSHR P16473 4/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ LMNA P02545 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ADORA3 P0DMS8 3/20 0.51

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
SCHEMBL29416496 0.84 ALDH1A1 (0.78) GBA1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL27149792 0.78 GBA1 (0.56) GBA1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL29650644 0.75 LATS1 (0.61) ALDH1A1
SCHEMBL27149794 0.73 GBA1 (0.55) GBA1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL18354436 0.73 GBA1 (1.00) GBA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19286343 0.71 CYP1A2 (0.74) GBA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7278023 0.71 MEN1 (0.87) GBA1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL20273653 0.70 CYP1A2 (1.00) GBA1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL15289677 0.70 TSHR (0.77) GBA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7278041 0.70 GBA1 (0.71) GBA1ALDH1A1CYP1A2CYP3A4CYP2D6

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-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
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