SCHEMBL8306233

SCHEMBL8306233

CCn1ncc(C(=O)c2ccc(Cl)c(-c3cc(C)no3)c2Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
NTRK1 P04629 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL8310173 0.88 RAB9A (0.36) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL5204516 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1HTTNTRK1KMT2A
SCHEMBL8377155 0.82 NTRK1 (0.35) SMN1; SMN2RAB9AALDH1A1HTTNTRK1
SCHEMBL8370898 0.76 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL8712680 0.76 MEN1 (0.34) RAB9AALDH1A1HTTKMT2AMEN1
SCHEMBL5204512 0.75 KDM4E (0.43) RAB9AALDH1A1NTRK1KMT2AMEN1
SCHEMBL5209607 0.75 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1NTRK1KMT2AMEN1
SCHEMBL27464247 0.75 KDM4E (0.31) ALDH1A1TSHRKDM4EUSP2CSF1R
SCHEMBL8138308 0.74 RAB9A (0.35) SMN1; SMN2RAB9AKMT2AMEN1TSHR
SCHEMBL2215157 0.74 CSF1R (0.33) ALDH1A1KMT2ATSHRKDM4EUSP2

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-0891972-A1 3-(ISOXAZOL-5-YL)-SUBSTITUTED BENZOIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1999-01-20 EP disclosed