SCHEMBL11825098

SCHEMBL11825098

CCCOc1nc(N2CCNCC2)nc(N2CCS(=O)(=O)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNH2 Q12809 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MGMT P16455 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SRC P12931 2/20 0.33
▸ HTR2C P28335 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
SCHEMBL11822665 0.94 MAPT (0.53) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11827488 0.92 MAPT (0.40) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11825108 0.91 MAPT (0.45) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11827005 0.87 MAPT (0.61) MAPTKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11818955 0.87 MAPT (0.46) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11822678 0.85 MAPT (0.52) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11824791 0.85 MAPT (0.34) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11824954 0.84 KMT2A (0.40) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11832032 0.83 KMT2A (0.50) MAPTKMT2ASMN1; SMN2KDM4EKCNH2
SCHEMBL11827480 0.83 MAPT (0.40) MAPTKMT2ASMN1; SMN2KDM4EKCNH2

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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