SCHEMBL21480122

SCHEMBL21480122

O=C(Nc1c(-c2ccccc2)cccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 2/20 0.57
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
PTPN1 P18031 3/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
KDR P35968 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
ADORA1 P30542 2/20 0.49
F2 P00734 1/20 0.49
F12 P00748 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
CHRNB2 P17787 1/20 0.49

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
SCHEMBL6073016 0.90 ALDH1A1 (0.56) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL7748946 0.90 KMT2A (0.51) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL21480227 0.88 KMT2A (0.50) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL16203451 0.84 LMNA (0.77) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL1504999 0.83 KMT2A (0.46) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL21933933 0.82 LMNA (0.68) KMT2AMEN1LMNAHSP90AA1HSP90AB1
Formic Acid SCHEMBL27884170 0.82 KMT2A (0.44) KMT2AMEN1LMNAHSP90AA1HSP90AB1
SCHEMBL12470503 0.81 ALDH1A1 (0.66) KMT2AMEN1LMNAALDH1A1ABCG2
SCHEMBL29434803 0.81 ALDH1A1 (0.66) KMT2AMEN1LMNAALDH1A1ABCG2
Ammonia Solution, Strong SCHEMBL29194251 0.79 ALDH1A1 (0.64) KMT2AMEN1LMNAALDH1A1ABCG2

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-2019199519-A1 MIXED CATALYST SYSTEMS CONTAINING IRON TRIDENTATE CARBENES AND METHODS FOR MAKING POLYMER PRODUCTS USING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-10-17 WO disclosed