SCHEMBL17033480

SCHEMBL17033480

c1ccc2cc(-n3c4ccccc4c4ccc5c(nc6c7ccccc7c7ccccc7n56)c43)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32

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
SCHEMBL17033489 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EATML3MBTL1
SCHEMBL17033519 0.89 HSD17B1 (0.37) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17033509 0.88 KDM4E (0.39) ALDH1A1POLBGAAKDM4EATM
SCHEMBL17033678 0.83 GAA (0.36) ALDH1A1POLBHPGDGAAKDM4E
SCHEMBL17033504 0.83 NPC1 (0.33) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL17033676 0.82 KDM4E (0.34) ALDH1A1POLBHPGDGAAKDM4E
SCHEMBL16066141 0.81 KDM4E (0.42) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL20367989 0.81 RAB9A (0.35) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL17033665 0.81 KDM4E (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EATM
SCHEMBL17033776 0.81 PMM2 (0.37) ALDH1A1RAB9ANPC1POLBSMN1; SMN2

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed