SCHEMBL10474100

SCHEMBL10474100

COc1ccc(Cn2nnnc2S)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 2/20 0.53
P2RX7 Q99572 2/20 0.47
CHRM2 P08172 2/20 0.46
OPRK1 P41145 2/20 0.46
CYP1A2 P05177 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRD1 P41143 1/20 0.46
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
AOC3 Q16853 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL9202824 0.79 P2RX7 (0.52) KMT2ALMNAMAPTP2RX7KDM4E
SCHEMBL9199730 0.77 KDM4E (0.44) KMT2ALMNAP2RX7KDM4ESMN1; SMN2
SCHEMBL1491091 0.70 CHRM2 (0.47) KMT2ALMNAMAPTCHRM2OPRK1
SCHEMBL28298203 0.68 CHRM2 (0.79) KMT2ALMNACHRM2OPRK1CYP1A2
SCHEMBL2338539 0.67 AOC3 (0.53) KMT2ALMNAMAPTCHRM2OPRK1
SCHEMBL8910900 0.66 AOC3 (0.56) KMT2ALMNAMAPTCHRM2OPRK1
SCHEMBL8104266 0.66 CHRM2 (0.68) KMT2ALMNACHRM2OPRK1CYP1A2
SCHEMBL28916493 0.66 KDM4E (0.73) KMT2ALMNAMAPTCHRM2OPRK1
SCHEMBL30883 0.65 AOC3 (0.55) KMT2ALMNAMAPTCHRM2OPRK1
SCHEMBL11928962 0.65 CHRM2 (0.72) KMT2ALMNACHRM2OPRK1CYP1A2

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-4962018-A TIMED RELEASE DEVELOPMENT INHIBITOR EASTMAN KODAK COMPANY (US) 1990-10-09 US disclosed