SCHEMBL10845658

SCHEMBL10845658

Cc1c(C(=O)O)sc2nc(/C=C/c3ccccc3)c(Cl)c(=O)n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
XIAP P98170 1/20 0.42
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
LMNA P02545 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 4/20 0.38
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM4 Q14833 1/20 0.36

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
SCHEMBL10845673 0.92 KDM4E (0.35) P2RX3ENPP3ALPLXIAPALDH1A1
SCHEMBL10846741 0.90 ALDH1A1 (0.39) P2RX3ENPP3ALPLXIAPALDH1A1
SCHEMBL10847525 0.90 ALDH1A1 (0.38) P2RX3ALDH1A1MAPTLMNARAB9A
SCHEMBL10845245 0.89 MAPT (0.40) ALDH1A1MAPTLMNARAB9AKMT2A
SCHEMBL10847369 0.88 P2RX3 (0.45) P2RX3ENPP3ALPLXIAPALDH1A1
SCHEMBL10847287 0.88 ALDH1A1 (0.38) ENPP3ALPLXIAPALDH1A1MAPT
SCHEMBL10848391 0.85 MAPT (0.41) P2RX3ENPP3ALPLXIAPALDH1A1
SCHEMBL10847888 0.85 MAPT (0.39) P2RX3ENPP3ALPLXIAPALDH1A1
SCHEMBL10849497 0.84 P2RX3 (0.42) P2RX3ALDH1A1MAPTLMNARAB9A
SCHEMBL10846582 0.83 MAPT (0.41) P2RX3ALDH1A1MAPTLMNARAB9A

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
US-4609660-A Substituted carboxy-thiazolo[3,2-a]pyrimidine derivatives FARMITALIA CARLO ERBA, S.P.A. (IT) 1986-09-02 US disclosed
US-4558046-A ANTIALLERGENS FARMITALIA CARLO ERBA, S.P.A. (IT) 1985-12-10 US disclosed