SCHEMBL8965645

SCHEMBL8965645

CC(C)c1nc(/C=C/c2ccccc2)c(C(=CO)C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
GRM4 Q14833 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
AHR P35869 1/20 0.35
ALOX5 P09917 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 2/20 0.33
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 3/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9076373 0.88 ALDH1A1 (0.38) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL8966362 0.87 ALDH1A1 (0.36) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL8965780 0.80 ALDH1A1 (0.37) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL8965791 0.80 ALDH1A1 (0.37) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL9075502 0.78 ALDH1A1 (0.36) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL9075507 0.78 ALDH1A1 (0.36) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL8965818 0.74 PTGDR2 (0.43) P2RX3ALDH1A1KMT2ALMNAMAPT
SCHEMBL9076607 0.71 ALDH1A1 (0.40) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL9076604 0.71 ALDH1A1 (0.40) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL8966128 0.70 GRM4 (0.41) P2RX3ALDH1A1RAB9ASMN1; SMN2KMT2A

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
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed