SCHEMBL2554742

SCHEMBL2554742

c1ccc(-c2cccc(-c3nnc(-c4ccccc4-c4nnc(-c5cccc(-c6ccccn6)n5)o4)o3)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
TP53 P04637 6/20 0.60
LMNA P02545 3/20 0.60
CCR1 P32246 3/20 0.60
CCR5 P51681 3/20 0.60
CCR8 P51685 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 3/20 0.60
ALOX15 P16050 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALPL P05186 1/20 0.60
HSP90AA1 P07900 1/20 0.60
ALPI P09923 1/20 0.60
ALPG P10696 1/20 0.60
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL12425309 0.93 KDM4E (0.69) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL2197485 0.87 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL29244073 0.85 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL2202802 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL29398228 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL29756481 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL367895 0.84 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL2365362 0.83 KDM4E (0.44) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL2199703 0.83 KDM4E (0.55) KDM4ESMN1; SMN2TP53LMNACCR1
SCHEMBL2198833 0.81 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2TP53LMNACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556075-A1 SUBSTITUTED CARBAZOLE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2013-02-13 EP disclosed
WO-2011125020-A1 SUBSTITUTED CARBAZOLE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-10-13 WO disclosed