SCHEMBL29954675

SCHEMBL29954675

[C-]#[N+]C(C(N)=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
AKR1C3 P42330 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MAPK1 P28482 3/20 0.42
POLB P06746 3/20 0.42
HCRTR1 O43613 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2556236 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPSR1CYP2C9
SCHEMBL29952026 0.76 KCNH2 (0.48) ALDH1A1TSHRCYP2C9CYP1A2
SCHEMBL28201240 0.75 ADRA2A (0.53) USP2ALDH1A1MEN1KMT2ATSHR
SCHEMBL6530016 0.74 PLAU (0.50) USP2ALDH1A1MEN1KMT2ATSHR
SCHEMBL29956312 0.73 HRH3 (0.37) ALDH1A1MAPTPKMCHRM1
SCHEMBL29950879 0.73 KCNH2 (0.51) MEN1KMT2A
SCHEMBL2558685 0.72 SLC6A7 (0.45) MAPTLMNASLC6A7
SCHEMBL3867043 0.71 HTR1A (0.67) USP2ALDH1A1MEN1KMT2ATSHR
SCHEMBL9006342 0.70 RAD52 (0.52) USP2ALDH1A1MEN1KMT2ATSHR
SCHEMBL460139 0.70 ADRA2A (0.58) USP2ALDH1A1MEN1KMT2ATSHR

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed