SCHEMBL9741920

SCHEMBL9741920

CC(C)Nc1nc(NC(C)C)nc(N2CCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ROCK1 Q13464 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.42
IDH2 P48735 1/20 0.42

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
SCHEMBL11811366 0.89 KMT2A (0.51) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL11564141 0.83 MAPK1 (0.54) TDP1USP2SMN1; SMN2KMT2AMAPK1
SCHEMBL24325504 0.76 HRH1 (0.61) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL14505381 0.75 HRH1 (0.59) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL777905 0.74 USP2 (0.72) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL10774254 0.74 POLB (0.50) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL10774260 0.74 POLB (0.50) HRH1TDP1USP2SMN1; SMN2POLB
SCHEMBL11019082 0.73 PDE10A (0.39) HRH1TDP1ALDH1A1KDM4EGAA
SCHEMBL10963751 0.73 PDE10A (0.48) HRH1TDP1USP2SMN1; SMN2CASP1
SCHEMBL1229731 0.73 HRH1 (0.85) HRH1TDP1USP2SMN1; SMN2POLB

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
WO-1992018478-A1 HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-10-29 WO disclosed