SCHEMBL5328964

SCHEMBL5328964

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
KMT2A Q03164 3/20 0.70
MEN1 O00255 1/20 0.70
TSHR P16473 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
LMNA P02545 2/20 0.62
MAPK1 P28482 1/20 0.59
METAP2 P50579 10/20 0.58
MAPT P10636 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
SCHEMBL5329752 0.89 SMN1; SMN2 (0.83) SMN1; SMN2KMT2ATSHRALDH1A1KDM4E
SCHEMBL5412718 0.86 MAPT (0.60) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5332021 0.83 SMN1; SMN2 (0.74) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL14542108 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL14542416 0.83 TP53 (0.69) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5332252 0.83 POLB (0.68) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5340651 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5340644 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5339948 0.82 PTK2 (0.67) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL5339956 0.82 PTK2 (0.67) SMN1; SMN2KMT2AMEN1TSHRALDH1A1

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