SCHEMBL27744769

SCHEMBL27744769

CCCCCN.NC(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
TLR8 Q9NR97 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
Dodecylamine SCHEMBL7530503 0.81 DNM1 (0.46) KIF11DNM1MEN1KMT2AALDH1A1
Biphenyl SCHEMBL27707154 0.80 DNM1 (0.55) DNM1MEN1KMT2AALDH1A1TSHR
Ethylenediamine SCHEMBL28162671 0.79 KIF11 (0.56) KIF11ALDH1A1TSHRTAAR1
Benzene SCHEMBL11103587 0.79 DNM1 (0.75) DNM1MEN1KMT2AALDH1A1TSHR
Octadecylamine SCHEMBL27704598 0.78 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Biphenyl SCHEMBL27966421 0.78 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Dodecylamine SCHEMBL27704599 0.78 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Toluene SCHEMBL9480148 0.78 DNM1 (0.52) KIF11DNM1MEN1KMT2AALDH1A1
Naphthalene SCHEMBL5965913 0.78 DNM1 (0.57) DNM1MEN1KMT2AALDH1A1TSHR
Dodecylamine SCHEMBL20338081 0.77 DNM1 (0.56) KIF11DNM1MEN1KMT2AALDH1A1

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
CN-101451013-B Polyimide material and preparation method thereof BYD CO LTD 2011-05-25 CN disclosed
CN-101451013-A Polyimide material and preparation method thereof BYD CO LTD (CN) 2009-06-10 CN disclosed