SCHEMBL7734089

SCHEMBL7734089

CCCCCC1CCC(C2CCC(c3ccc(C(=O)c4ccccc4[N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTT P42858 6/20 0.37
NPSR1 Q6W5P4 6/20 0.37
NPC1 O15118 3/20 0.37
MITF O75030 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 2/20 0.37
HPSE Q9Y251 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.36
ITGB1 P05556 1/20 0.36

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
SCHEMBL7723471 0.87 ALDH1A1 (0.46) PDE4BPDE4DKDM4EGLAHTT
SCHEMBL7734092 0.87 MAPT (0.40) CRHBPCRHR2HTTSMN1; SMN2MAPT
SCHEMBL7723473 0.82 ALDH1A1 (0.38) PDE4BPDE4DCRHBPCRHR2HTT
SCHEMBL7731618 0.81 ACHE (0.35) PDE4BPDE4DKDM4ESMN1; SMN2MAPT
SCHEMBL7734090 0.79 ALDH1A1 (0.36) PDE4BPDE4DCRHBPCRHR2SMN1; SMN2
SCHEMBL7731623 0.77 SLC18A3 (0.36) HTTNPSR1SMN1; SMN2MAPTMAPK1
SCHEMBL27784038 0.74 GAA (0.47) MAPTMEN1KMT2AALDH1A1HCAR3
SCHEMBL27430080 0.73 VCAM1 (0.56) SMN1; SMN2MAPTMAPK1MEN1KMT2A
SCHEMBL5886428 0.72 PDE4B (0.36) PDE4BPDE4DKDM4EMAPTMEN1
SCHEMBL5886424 0.72 PDE4B (0.36) PDE4BPDE4DKDM4EMAPTMEN1

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-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed