SCHEMBL18805397

SCHEMBL18805397

COc1ccc(N(c2ccc(OC)cc2)c2ccc3nc4n(c3c2)c2nc3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3n2c2nc3ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3n42)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
NCF1 P14598 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL19625913 0.89 KDR (0.41) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18805363 0.82 ALDH1A1 (0.48) NCF1NPC1RAB9AALDH1A1MEN1
SCHEMBL18805387 0.81 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18818643 0.74 TERT (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL19365075 0.74 SULT1A1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL19625910 0.72 MAPT (0.40) KDRNPC1RAB9AALDH1A1MEN1
SCHEMBL18330652 0.72 CA1 (0.39) KDRNPC1RAB9AALDH1A1MEN1
SCHEMBL6233100 0.72 CA1 (0.65) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1573622 0.72 CA1 (0.65) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14515932 0.71 CA1 (0.46) KDRNCF1NPC1RAB9AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 US disclosed