SCHEMBL14196855

SCHEMBL14196855

C(=N/N(c1ccccc1)c1ccccc1)\c1nccn1CC1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.33
EIF4H Q15056 1/20 0.33
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
ABCB11 O95342 1/20 0.31
ADRA2B P18089 1/20 0.31
LMNA P02545 1/20 0.31
GRIN2B Q13224 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
GAA P10253 2/20 0.30

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
SCHEMBL4850760 0.72 POLB (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL4850756 0.72 POLB (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL4846610 0.71 TP53 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4820619 0.68 CYP1A2 (0.48) USP2MEN1KMT2AMAPTALDH1A1
SCHEMBL4823145 0.68 CYP1A2 (0.48) USP2MEN1KMT2AMAPTALDH1A1
SCHEMBL4814026 0.66 DHFR (0.47) USP2MEN1KMT2AMAPTALDH1A1
SCHEMBL4814020 0.66 DHFR (0.47) USP2MEN1KMT2AMAPTALDH1A1
SCHEMBL13063787 0.66 TP53 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL29360356 0.63 TLR8 (0.43) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL28113341 0.62 CYP1A2 (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4

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-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed