SCHEMBL11510339

SCHEMBL11510339

CCSSc1nnc(-c2ccncc2)n1Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.77
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TLR5 O60602 1/20 0.48
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL11509227 0.77 TSHR (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10011649 0.74 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6406195 0.73 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13832039 0.71 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL13831773 0.71 SMN1; SMN2 (0.74) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL3915525 0.71 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9402280 0.70 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6410082 0.69 KMT2A (0.61) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14195584 0.69 TSHR (0.63) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3012641 0.68 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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
US-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 — — US disclosed
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