SCHEMBL5329752

SCHEMBL5329752

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

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.83
LMNA P02545 2/20 0.64
KMT2A Q03164 1/20 0.64
METAP2 P50579 14/20 0.64
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL5328964 0.89 SMN1; SMN2 (0.75) SMN1; SMN2LMNAKMT2AMETAP2ALDH1A1
SCHEMBL5332021 0.88 SMN1; SMN2 (0.74) SMN1; SMN2LMNAKMT2AMETAP2ALDH1A1
SCHEMBL5340651 0.81 SMN1; SMN2 (0.63) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5340644 0.81 SMN1; SMN2 (0.63) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5339948 0.81 PTK2 (0.67) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5339956 0.81 PTK2 (0.67) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL14542108 0.80 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL14542416 0.80 TP53 (0.69) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5339915 0.80 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL5339920 0.80 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKMT2AALDH1A1POLB

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