SCHEMBL11665652

SCHEMBL11665652

Cc1nn(-c2ccccc2)c(C)c1N(S)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDE4D Q08499 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL11654025 0.87 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL11657778 0.86 LMNA (0.44) SMN1; SMN2POLBRAB9ANPC1NPSR1
SCHEMBL11658272 0.85 CYP2C9 (0.57) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL11652631 0.84 MAPT (0.39) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL11652455 0.81 PDE4B (0.51) SMN1; SMN2KDM4ERAB9ANPC1MAPT
SCHEMBL11655639 0.77 POLB (0.57) KDM4EPOLBNPC1ALDH1A1LMNA
SCHEMBL27504219 0.74 RAB9A (0.44) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL28524227 0.74 RAB9A (0.64) SMN1; SMN2KDM4EPOLBAPEX1TDP1
SCHEMBL11655985 0.73 KDM4E (0.42) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL20037334 0.73 PDE4D (0.56) SMN1; SMN2KDM4EPOLBAPEX1TDP1

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-4108982-A DIURETICS, HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1978-08-22 US disclosed