SCHEMBL20172085

SCHEMBL20172085

Cc1ccc2c(c1)N(c1ccccc1)c1ccncc1O2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PIM1 P11309 9/20 0.35
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL20308081 0.90 ALDH1A1 (0.38) MAPTALDH1A1NPSR1LMNATP53
SCHEMBL12433669 0.85 ALDH1A1 (0.39) MAPTALDH1A1NPSR1LMNATP53
SCHEMBL11978697 0.84 P2RX4 (0.43) MAPTALDH1A1NPSR1LMNATP53
SCHEMBL17490203 0.84 PIM1 (0.37) MAPTPIM1ALDH1A1KDM4ECA12
SCHEMBL13022983 0.77 MAPT (0.36) MAPTPIM1CA12CA1CA2
SCHEMBL17489707 0.77 CDK8 (0.38) MAPTPIM1ALDH1A1LMNATSHR
SCHEMBL23606171 0.77 P2RX4 (0.35) MAPTALDH1A1NPSR1LMNATP53
SCHEMBL16773717 0.76 P2RX4 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL12374349 0.76 ALDH1A1 (0.42) ALDH1A1NPSR1LMNATP53GAA
SCHEMBL13203012 0.75 P2RX4 (0.43) MAPTALDH1A1NPSR1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339395-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-02 EP disclosed
EP-3339395-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2018-06-27 EP disclosed
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 EP disclosed