SCHEMBL9976887

SCHEMBL9976887

Cn1c(-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 11/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
TP53 P04637 5/20 0.49
HSD17B10 Q99714 5/20 0.49
PKM P14618 4/20 0.49
GAA P10253 4/20 0.49
ALOX15 P16050 2/20 0.49
HPGD P15428 7/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9611736 0.93 MEN1 (0.47) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9976879 0.93 ALDH1A1 (0.55) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9976920 0.88 ALDH1A1 (0.51) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9976897 0.87 KDM4E (0.53) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL16692202 0.87 KDM4E (0.59) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9611745 0.85 PDE10A (0.47) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL24914343 0.85 ALDH1A1 (0.51) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL15942646 0.84 ALDH1A1 (0.60) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9976889 0.84 KDM4E (0.50) KDM4EALDH1A1RAB9ANPC1TP53
SCHEMBL9976886 0.83 ESR1 (0.45) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed