SCHEMBL8377155

SCHEMBL8377155

CCn1nc(C(=O)c2ccc(Cl)c(-c3cc(C)no3)c2Cl)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.35
ALDH1A1 P00352 3/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
SCD5 Q86SK9 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSF1R P07333 3/20 0.32

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
SCHEMBL8377149 0.87 MAPT (0.33) ALDH1A1USP2KDM4ETSHRHTT
SCHEMBL8306233 0.82 SMN1; SMN2 (0.39) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL5209607 0.76 ALDH1A1 (0.54) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL5204512 0.76 KDM4E (0.43) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL8376273 0.75 CSF1R (0.33) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL5204516 0.74 ALDH1A1 (0.35) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL8137248 0.73 NOTUM (0.47) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL8310173 0.71 RAB9A (0.36) NTRK1ALDH1A1USP2KDM4ETSHR
SCHEMBL8712680 0.64 MEN1 (0.34) ALDH1A1USP2KDM4ETSHRNPC1
SCHEMBL8310371 0.63 KDM4E (0.41) ALDH1A1USP2KDM4ETSHRLMNA

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
US-5948917-A INTERMEDIATE FOR THE PRODUCTION OF A HERBICIDALLY ACTIVE PYRAZOLE COMPOUND NIPPON SODA CO., LTD. (JP) 1999-09-07 US disclosed