SCHEMBL5339956

SCHEMBL5339956

O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NN=Cc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 6/20 0.59
POLB P06746 2/20 0.59
TSHR P16473 2/20 0.59
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL5339948 1.00 PTK2 (0.67) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL14542391 0.91 ALDH1A1 (0.65) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5339920 0.91 SMN1; SMN2 (0.62) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5339915 0.91 SMN1; SMN2 (0.62) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5332188 0.89 SMN1; SMN2 (0.60) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5332182 0.89 SMN1; SMN2 (0.60) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5340651 0.89 SMN1; SMN2 (0.63) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL5340644 0.89 SMN1; SMN2 (0.63) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL14542108 0.86 SMN1; SMN2 (0.62) PTK2SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL14542416 0.86 TP53 (0.69) PTK2SMN1; SMN2ALDH1A1POLBTSHR

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
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO claimed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed