SCHEMBL5820072

SCHEMBL5820072

Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 1.00
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
PTGDR Q13258 1/20 0.61

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
SCHEMBL5544242 0.86 PTGDR2 (0.76) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8292005 0.85 PTGDR2 (0.74) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11863429 0.85 PTGDR2 (0.74) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL19626502 0.85 PTGDR2 (0.73) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8291391 0.83 MEN1 (0.76) PTGDR2MEN1KMT2AALDH1A1HPGD
SCHEMBL11269805 0.82 PTGDR2 (0.70) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10359068 0.82 CYP1A2 (0.76) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5815533 0.82 PTGDR2 (0.69) PTGDR2ALDH1A1MAPTGAA
Fentiazac SCHEMBL16196751 0.80 PTGDR2 (1.00) PTGDR2MEN1KMT2AKDM4EALDH1A1
Fentiazac SCHEMBL24355 0.80 PTGDR2 (1.00) PTGDR2MEN1KMT2AKDM4EALDH1A1

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
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed
WO-2006085815-A1 THIAZOLE DERIVATIVES, THEIR PROCESS FOR THEIR PREPARATION AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-08-17 WO disclosed