SCHEMBL17412673

SCHEMBL17412673

CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)nc4ccccc34)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 7/20 0.40
HPGD P15428 6/20 0.40
ALDH1A1 P00352 6/20 0.40
NTSR1 P30989 1/20 0.40
ACACA Q13085 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
CYP2C19 P33261 2/20 0.36
WHR1 P49842 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36

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
SCHEMBL18456031 0.93 MEN1 (0.47) MEN1KMT2AATMMAPTLMNA
SCHEMBL24293176 0.92 MEN1 (0.46) MEN1KMT2AATMMAPTLMNA
SCHEMBL26937620 0.85 MEN1 (0.47) MEN1KMT2AATMMAPTHPGD
SCHEMBL22059014 0.85 MEN1 (0.47) MEN1KMT2AATMMAPTHPGD
SCHEMBL17412579 0.84 MEN1 (0.41) MEN1KMT2AATMMAPTHPGD
SCHEMBL25534457 0.84 MEN1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25534335 0.84 MEN1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25534326 0.84 MEN1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25534409 0.84 MEN1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25534320 0.84 MEN1 (0.41) MEN1KMT2AATMMAPTHPGD

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
WO-2016003225-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 WO disclosed