SCHEMBL16613251

SCHEMBL16613251

c1ccc2c(-c3nc(-n4c5ccccc5c5ccccc54)nc4cscc34)cccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL16613260 0.95 TUBB4A (0.34) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL16613361 0.91 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL16613233 0.90 ALDH1A1 (0.35) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL16613245 0.88 ALDH1A1 (0.34) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL16613456 0.86
SCHEMBL16613240 0.86 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2ADUSP3
SCHEMBL16613246 0.85 KDM4E (0.40) KDM4EDUSP3HSD17B10ATML3MBTL1
SCHEMBL12014852 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL16613346 0.83 ALOX5 (0.36) DUSP3MAPT
SCHEMBL16613342 0.82 DUSP3 (0.31) DUSP3

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed