SCHEMBL18523654

SCHEMBL18523654

Nc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GFER P55789 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34

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
SCHEMBL21444300 0.92 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL21443966 0.89 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL18523754 0.89 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL18523766 0.88 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL18523844 0.87 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL16545692 0.87 KDM4E (0.44) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL22482121 0.86 PLA2G2A (0.39) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL24668917 0.85 SMN1; SMN2 (0.39) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL18524020 0.85 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL24811868 0.85 KDM4E (0.41) KMT2AMEN1MAPTALDH1A1HPGD

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-3130591-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2017-02-15 — — EP disclosed
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