SCHEMBL8917488

SCHEMBL8917488

S=C(CCN1CCOCC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 4/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSP90AA1 P07900 1/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.49
PHGDH O43175 1/20 0.47
GLA P06280 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
SCHEMBL9779465 0.80 ALDH1A1 (0.67) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL6500535 0.80 ALDH1A1 (0.67) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL321369 0.80 ALDH1A1 (1.00) KMT2AALDH1A1MAPTLMNACYP2C19
SCHEMBL7022017 0.75 LMNA (0.57) KMT2AALDH1A1GAALMNACYP2C19
SCHEMBL7385779 0.75 ALDH1A1 (0.68) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL501352 0.74 ALDH1A1 (0.82) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL21077881 0.72 TSHR (0.71) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL12123772 0.72 ALDH1A1 (0.83) KMT2AALDH1A1MAPTLMNA
SCHEMBL28839873 0.71 ALDH1A1 (0.63) KMT2AALDH1A1MAPTLMNACYP2C19
Morpholino(Phenyl)Methanethione SCHEMBL9180076 0.71 MGLL (0.79) KMT2AALDH1A1MAPTKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9118848-A None JP disclosed
JP-H09118848-A ULTRAVIOLET-CURABLE INK, HEAT TRANSFER LABEL AND THEIR PRODUCTION ILLINOIS TOOL WORKS INC <ITW> 1997-05-06 JP disclosed