SCHEMBL17999996

SCHEMBL17999996

COc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
CRHR1 P34998 2/20 0.37
CSF1R P07333 3/20 0.36
EGFR P00533 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL16282199 0.92 MAPT (0.39) SLC16A3SLC16A1CRHR1EGFRKDM4E
SCHEMBL2535094 0.86 KEAP1 (0.45) EGFRKDM4EKMT2AMAPTKEAP1
SCHEMBL18000005 0.85 TSHR (0.46) CRHR1MEN1KMT2AALDH1A1TSHR
SCHEMBL16282214 0.82 TSHR (0.40) CRHR1EGFRCYP2A6MAPTTSHR
SCHEMBL16282209 0.82 CRHR1 (0.34) SLC16A3SLC16A1CRHR1KDM4EMEN1
SCHEMBL19588655 0.81 TSHR (0.45) SLC16A3SLC16A1CRHR1TSHR
SCHEMBL10065711 0.81 SLC16A3 (0.46) SLC16A3SLC16A1CSF1REGFRKDM4E
SCHEMBL12031898 0.81 ACHE (0.44) EGFRKDM4EALDH1A1RAB9AKEAP1
SCHEMBL8943874 0.80 IDO1 (0.48) CSF1REGFRCYP1A2CYP3A4CYP2C9
SCHEMBL7214261 0.80 ALDH1A1 (0.39) KDM4EMEN1KMT2ACYP1A2CYP3A4

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-20160233428-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US disclosed
US-20160233428-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US disclosed