SCHEMBL23344747

SCHEMBL23344747

c1ccc(-c2ccc3c(-c4ccc(-c5ccccc5)nc4)c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.47
DHODH Q02127 1/20 0.42
CYP2A6 P11509 1/20 0.41
KDR P35968 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL24106243 1.00 HPGDS (0.47) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL22795940 0.99 HPGDS (0.46) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL22493212 0.99 HPGDS (0.46) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL30779191 0.97 HPGDS (0.49) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL4951058 0.97 HPGDS (0.49) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL17737597 0.96 HPGDS (0.46) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL17342842 0.96 HPGDS (0.46) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL18961084 0.96 HPGDS (0.48) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL15306468 0.94 HPGDS (0.47) HPGDSDHODHCYP2A6KDRKDM4E
SCHEMBL15977918 0.93 HPGDS (0.48) HPGDSDHODHCYP2A6KDRKDM4E

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-20210143329-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-13 US disclosed