SCHEMBL5335319

SCHEMBL5335319

Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccco3)n2CC2CCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ ALDH1A1 P00352 11/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ MAPT P10636 5/20 0.57
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TDP1 Q9NUW8 4/20 0.55
▸ GAA P10253 1/20 0.54
▸ POLB P06746 4/20 0.54
▸ RECQL P46063 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL5329001 1.00 KMT2A (0.60) KMT2AALDH1A1HSD17B10MAPTLMNA
SCHEMBL14542415 0.83 KMT2A (0.71) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14542394 0.83 KMT2A (0.66) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5328923 0.82 KMT2A (0.72) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5328915 0.82 KMT2A (0.72) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5332719 0.82 SMN1; SMN2 (0.67) KMT2AALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL14542468 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5331944 0.75 KMT2A (0.68) KMT2AALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL5331047 0.75 KMT2A (0.62) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5330488 0.75 KMT2A (0.62) KMT2AALDH1A1MAPTLMNASMN1; 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
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 — — WO claimed
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