SCHEMBL11818955

SCHEMBL11818955

CCCOc1nc(N2CCNCC2)nc(N2CCSCC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR2A P28223 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ MGMT P16455 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SRC P12931 1/20 0.32

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
SCHEMBL11826064 0.94 MAPT (0.54) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11824715 0.92 MAPT (0.41) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11823112 0.92 MAPT (0.41) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11827005 0.88 MAPT (0.61) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11825098 0.87 MAPT (0.45) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11825201 0.87 KCNQ3 (0.39) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11825108 0.86 MAPT (0.45) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11827422 0.84 MAPT (0.35) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11822814 0.84 KMT2A (0.41) MAPTKMT2ASMN1; SMN2KDM4EHTR2A
SCHEMBL11819051 0.83 KMT2A (0.51) MAPTKMT2ASMN1; SMN2KDM4EHTR2A

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 — — US disclosed
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