SCHEMBL6843663

SCHEMBL6843663

C=CC(c1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
CACNA1G O43497 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 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
SCHEMBL3157929 0.73 MEN1 (0.52) MEN1KMT2APOLBATMCYP1A2
SCHEMBL6682761 0.72 HTR2A (0.39) MEN1KMT2APOLBATMCYP1A2
SCHEMBL10455242 0.69 MEN1 (0.53) MEN1KMT2APOLBATMCYP1A2
Hydrochloric Acid SCHEMBL8676449 0.69 MEN1 (0.44) MEN1KMT2APOLBATMCYP1A2
SCHEMBL12259452 0.69 CYP1A2 (0.46) MEN1KMT2APOLBATMCYP1A2
Hydrochloric Acid SCHEMBL8677554 0.69 MEN1 (0.44) MEN1KMT2APOLBATMCYP1A2
Hydrochloric Acid SCHEMBL8676454 0.69 MEN1 (0.44) MEN1KMT2APOLBATMCYP1A2
SCHEMBL10781097 0.69 GPR3 (0.36) MEN1KMT2APOLBATMCYP1A2
SCHEMBL7050239 0.68 TSHR (0.37) MEN1KMT2APOLBATMCYP1A2
SCHEMBL461672 0.67 IDO1 (0.42) MEN1KMT2ACYP1A2MAPTCHRM1

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-20040079924-A1 Blue light-emitting, ladder-type polymer with excellent heat stability KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2004-04-29 US disclosed