SCHEMBL19225447

SCHEMBL19225447

Cc1cc2c(c(N)c1I)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIA2 P42262 1/20 0.30
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL21603522 0.81 GRIA2 (0.37) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL17659028 0.78 MEN1 (0.35) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21603395 0.76 HPGD (0.36) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21603448 0.74 LARS1 (0.33) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3344312 0.71 ALDH1A1 (0.47) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29362737 0.71 ALDH1A1 (0.47) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8407148 0.71 KDM4E (0.41) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL30329719 0.70 MAPT (0.40) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL8525889 0.67 ALDH1A1 (0.47) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL12062654 0.67 ALDH1A1 (0.40) MAPTKDM4EALDH1A1LMNASMN1; SMN2

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-3202765-A1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2017-08-09 EP disclosed