SCHEMBL17614702

SCHEMBL17614702

c1ccc(-c2nnc(-c3ccccc3C3c4ccccc4-c4ccccc43)n2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AKT1 P31749 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
OXTR P30559 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL17069885 0.83 AVPR1A (0.59) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17023639 0.83 AVPR1A (0.59) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL39449 0.80 AVPR1A (0.70) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17954892 0.80 AKT1 (0.41) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL18327898 0.80 AVPR1A (0.70) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13916731 0.80 AVPR1A (0.53) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17030716 0.79 KDM4E (0.44) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL15207576 0.78 AVPR1A (0.59) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13916730 0.77 AVPR1A (0.58) AVPR1AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17030718 0.77 AVPR1A (0.53) AVPR1AALDH1A1KDM4EHSD17B10TSHR

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
US-20160087227-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160087227-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed