SCHEMBL7723476

SCHEMBL7723476

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
SRD5A2 P31213 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PGR P06401 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8945263 0.93 CYP2C9 (0.52) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7734092 0.86 MAPT (0.40) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL10477178 0.85 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10477180 0.85 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9837944 0.85 MAPT (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9837935 0.85 MAPT (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7723473 0.84 ALDH1A1 (0.38) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL7723471 0.84 ALDH1A1 (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10347807 0.84 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10347806 0.84 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAKMT2A

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