SCHEMBL8400182

SCHEMBL8400182

N=C(N)N(c1cccc2cccnc12)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PSMD14 O00487 1/20 0.47
COPS5 Q92905 1/20 0.47
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL27483326 0.81 NPC1 (0.36) PARP1MMP2TSHRCHRM1COMT
SCHEMBL27481133 0.80 SIGMAR1 (0.44) PARP1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6114228 0.77 PARP1 (0.54) PARP1MMP2TSHRCHRM1COMT
SCHEMBL16892918 0.76 PARP1 (0.50) PARP1MMP2TSHRCHRM1COMT
SCHEMBL7047557 0.75 KDM4E (0.58) PARP1MMP2TSHRCHRM1COMT
SCHEMBL9390465 0.73 PARP1 (0.47) PARP1MMP2TSHRCHRM1COMT
SCHEMBL10994586 0.72 LMNA (0.50) PARP1MMP2TSHRCHRM1COMT
SCHEMBL869102 0.72 KDM4E (0.54) PARP1MMP2TSHRCHRM1COMT
SCHEMBL2431069 0.72 SIGMAR1 (0.55) TSHRCYP3A4KDM4EHTTTDP1
SCHEMBL19483173 0.71 PARP1 (0.47) PARP1MMP2TSHRCHRM1COMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed