SCHEMBL11540604

SCHEMBL11540604

C=Cn1ccnc1C(O)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
TYR P14679 1/20 0.32
TNKS O95271 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL11542036 0.94 KMT2A (0.51) KMT2ALMNATDP1GAASMN1; SMN2
SCHEMBL11535928 0.81 KMT2A (0.49) KMT2ALMNATDP1GAASMN1; SMN2
SCHEMBL11534505 0.80 KMT2A (0.48) KMT2AGAASMN1; SMN2KIF11ALDH1A1
Bromide SCHEMBL29033816 0.72 LMNA (0.41) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL11534499 0.66 KCNH2 (0.40) KMT2ALMNAALDH1A1MEN1POLB
SCHEMBL12123082 0.65 LMNA (0.60) KMT2ALMNATDP1GAASMN1; SMN2
SCHEMBL11534295 0.64 KMT2A (0.66) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19418810 0.62 LMNA (0.37) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL36575 0.61
Bromide SCHEMBL28390663 0.60 LMNA (0.42) LMNATDP1GAASMN1; SMN2KDM4E

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-4152441-A Analgesic imidazolemethanols GIST-BROCADES N.V. (NL) 1979-05-01 US disclosed