SCHEMBL7734092

SCHEMBL7734092

CCCCCC1CCC(C2CCC(c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC18A3 Q16572 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HCAR3 P49019 2/20 0.37
SRD5A2 P31213 1/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
VCAM1 P19320 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
ALOX12 P18054 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL7734089 0.87 PDE4B (0.41) MAPTALDH1A1HCAR3LMNAKMT2A
SCHEMBL7723476 0.86 CYP2C9 (0.48) MAPTALDH1A1TDP1HDAC3HDAC1
SCHEMBL7731623 0.84 SLC18A3 (0.36) MAPTALDH1A1SLC18A3LMNAKMT2A
SCHEMBL7723473 0.83 ALDH1A1 (0.38) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7734090 0.83 ALDH1A1 (0.36) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8945263 0.79 CYP2C9 (0.52) MAPTALDH1A1TDP1SLC18A3HDAC3
SCHEMBL27430080 0.77 VCAM1 (0.56) MAPTALDH1A1SLC18A3HCAR3LMNA
SCHEMBL27784038 0.76 GAA (0.47) MAPTALDH1A1HCAR3KMT2AGAA
SCHEMBL7723471 0.75 ALDH1A1 (0.46) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL7731618 0.74 ACHE (0.35) MAPTALDH1A1LMNAKMT2ASMN1; SMN2

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