SCHEMBL4899121

SCHEMBL4899121

CCN(CC)c1ccc(/C=N/CC/N=C/c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.67
KDM4E B2RXH2 9/20 0.67
GAA P10253 8/20 0.67
ALDH3A1 P30838 1/20 0.59
ALDH1A3 P47895 1/20 0.59
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 11/20 0.54
GFER P55789 3/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP1 P29466 3/20 0.49
CASP7 P55210 1/20 0.49
HBB P68871 1/20 0.49
APOBEC3G Q9HC16 1/20 0.48
ESRRG P62508 2/20 0.48
POLB P06746 2/20 0.48

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
SCHEMBL4899125 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL15172948 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL15172910 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL15172947 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL15172911 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL5379791 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL5379796 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL18321013 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL20163323 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EGAAALDH3A1ALDH1A3
SCHEMBL15086509 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EGAAALDH3A1ALDH1A3

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
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed