SCHEMBL21539958

SCHEMBL21539958

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc#1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HDAC4 P56524 1/20 0.40
▸ PTPN1 P18031 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ IL1R1 P14778 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
SCHEMBL25983560 0.93 KDM4E (0.38) KDM4EL3MBTL1ATMHDAC4
SCHEMBL19060367 0.92 KDM4E (0.44) KDM4EL3MBTL1ATMHDAC4PTPN1
SCHEMBL19721633 0.89 L3MBTL1 (0.42) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL26312474 0.88 ATM (0.40) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL25795014 0.87 TSPO (0.34) KDM4EL3MBTL1ATMHDAC4
SCHEMBL24119078 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMHDAC4PTPN1
SCHEMBL15894184 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMHDAC4PTPN1
SCHEMBL12704962 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMHDAC4PTPN1
SCHEMBL21011023 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMHDAC4PTPN1
SCHEMBL16356548 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMHDAC4PTPN1

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
EP-3406597-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-10-30 — — EP disclosed
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