SCHEMBL9760636

SCHEMBL9760636

CCOCCn1c(NCCCN(C)C)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.43
SLC6A9 P48067 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.39
APOBEC3A P31941 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
SYK P43405 1/20 0.37
TSHR P16473 1/20 0.36
APAF1 O14727 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 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
SCHEMBL9760898 0.94 SLC6A9 (0.42) RAD52SLC6A9KDM4EKMT2ARAB9A
SCHEMBL10444947 0.81 ALDH1A1 (0.51) SLC6A9KDM4EKMT2ARAB9AALDH1A1
SCHEMBL9761718 0.81 SLC6A9 (0.49) SLC6A9
SCHEMBL9762037 0.78 SLC6A9 (0.45) SLC6A9KDM4EKMT2ARAB9AALDH1A1
SCHEMBL14263836 0.73 SLC6A9 (0.55) SLC6A9KDM4EKMT2APOLBRAB9A
SCHEMBL10446081 0.72 CYP1A2 (0.36) RAD52KDM4EL3MBTL1KMT2ANPC1
SCHEMBL9535868 0.72 SLC6A9 (0.44) SLC6A9KDM4EMAPT
SCHEMBL10383260 0.72 TP53 (0.46) SLC6A9KDM4EMAPT
Hydrochloric Acid SCHEMBL10384124 0.72 SLC6A9 (0.44) SLC6A9KDM4EMAPT
SCHEMBL9762111 0.72 SLC6A9 (0.46) SLC6A9MAPT

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