SCHEMBL10447927

SCHEMBL10447927

CC(NC(=N)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ABCC9 O60706 1/20 0.43
▸ ABCC8 Q09428 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.43
▸ KCNJ8 Q15842 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL9456935 0.82 ABCC9 (0.57) HTTNPC1KMT2APKMALDH1A1
SCHEMBL8940750 0.81 ROCK2 (0.44) FFAR2HTTSMN1; SMN2KMT2AALOX15
SCHEMBL11078900 0.81 NPC1 (0.60) FFAR2HTTRAB9ANPC1SMN1; SMN2
SCHEMBL11072102 0.79 ALDH1A1 (0.63) FFAR2HTTRAB9ANPC1SMN1; SMN2
SCHEMBL11072104 0.79 ALDH1A1 (0.63) FFAR2HTTRAB9ANPC1SMN1; SMN2
SCHEMBL11079424 0.78 LMNA (0.56) SMN1; SMN2KMT2ANOTUMPKMLMNA
SCHEMBL11073535 0.77 TSHR (0.60) HTTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL9456838 0.76 ABCC9 (0.51) RAB9ANPC1KMT2AALOX15ALDH1A1
SCHEMBL14538107 0.76 NPC1 (0.51) HTTRAB9ANPC1KMT2ANAMPT
Hydrochloric Acid SCHEMBL10447525 0.75 ABCC9 (0.50) RAB9ANPC1KMT2AALOX15ALDH1A1

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
EP-0381504-A2 Improvements in and relating to guanidine derivatives ELI LILLY AND COMPANY (US) 1990-08-08 — — EP disclosed
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