SCHEMBL9760898

SCHEMBL9760898

CCOCCn1c(NCCN(C)C)nc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KAT2B Q92831 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
RAD52 P43351 1/20 0.36
ELANE P08246 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9760636 0.94 RAD52 (0.43) SLC6A9KDM4EMAPTMEN1KMT2A
SCHEMBL9761718 0.83 SLC6A9 (0.49) SLC6A9
SCHEMBL9762037 0.80 SLC6A9 (0.45) SLC6A9KDM4EMEN1KMT2ATSHR
SCHEMBL10444947 0.79 ALDH1A1 (0.51) SLC6A9KDM4EMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9760488 0.77 POLB (0.48) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL9761614 0.76 TP53 (0.49) MAPTTP53LMNA
SCHEMBL14263836 0.74 SLC6A9 (0.55) SLC6A9KDM4EMAPTMEN1KMT2A
SCHEMBL9535868 0.74 SLC6A9 (0.44) SLC6A9KDM4EMAPT
SCHEMBL10383260 0.73 TP53 (0.46) SLC6A9CYP2C19KDM4EMAPTTP53
Hydrochloric Acid SCHEMBL10384124 0.73 SLC6A9 (0.44) SLC6A9KDM4EMAPT

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-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed