SCHEMBL7025481

SCHEMBL7025481

Cc1c(NC(S)=NCCc2ccccc2)ccc(Oc2ccc(NC(S)=NCCc3ccccc3)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
POLB P06746 4/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
RAF1 P04049 1/20 0.37
HDAC1 Q13547 1/20 0.35
C5AR1 P21730 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL7019465 0.83 NPY5R (0.49) NPY5RALDH1A1GAAPOLBCRHBP
SCHEMBL7028917 0.81 ALDH1A1 (0.42) ALDH1A1GAAPOLBCRHBPCRHR2
SCHEMBL7896868 0.69 NPY5R (0.50) NPY5RALDH1A1GAAPOLBCRHBP
SCHEMBL7898569 0.66 NPY5R (0.47) NPY5RALDH1A1GAAPOLBCRHBP
SCHEMBL10006897 0.61 LTA4H (0.55) ALDH1A1GAAKMT2AKDM4ELMNA
SCHEMBL7895718 0.60 HPGD (0.47) ALDH1A1GAAPOLBCRHBPCRHR2
SCHEMBL9528131 0.59 MAPT (0.45) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL10626834 0.59 ALDH1A1 (0.46) ALDH1A1GAAHDAC1HPGDMEN1
SCHEMBL10626840 0.59 ALDH1A1 (0.46) ALDH1A1GAAHDAC1HPGDMEN1
SCHEMBL21295438 0.59 MAPT (0.55) ALDH1A1GAAPOLBRAF1RAB9A

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
EP-0973735-B1 POLYAROMATIC ANTIVIRAL COMPOSITIONS UPJOHN CO (US) 2003-01-29 EP claimed