SCHEMBL16275334

SCHEMBL16275334

c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c(c5ccccc5n4-c4nc(-n5c6ccccc6c6c7c(c8ccccc8n7-c7ccccc7)c7oc8ccccc8c7c65)nc(-n5c6ccccc6c6c7c(c8ccccc8n7-c7ccccc7)c7oc8ccccc8c7c65)n4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.38
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL17405209 0.94 ALDH1A1 (0.40) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275339 0.92 KDM4E (0.47) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275297 0.92 MAPT (0.38) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275280 0.92 MAPT (0.38) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275290 0.92 HSD17B10 (0.42) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275310 0.90 KDM4E (0.46) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275533 0.90 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275764 0.90 ALDH1A1 (0.36) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275378 0.89 KDM4E (0.47) ALDH1A1PPARGRXFP1NR2E3NCOR2
SCHEMBL16275902 0.88 ALDH1A1 (0.41) ALDH1A1PPARGRXFP1NR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991445-B2 Heterocyclic compound, material for organic electroluminescence device including the same, and organic electroluminescence device and electronic equipment employing the same IDEMITSU KOSAN CO., LTD. (JP) 2018-06-05 US disclosed
US-9991445-B2 Heterocyclic compound, material for organic electroluminescence device including the same, and organic electroluminescence device and electronic equipment employing the same IDEMITSU KOSAN CO., LTD. (JP) 2018-06-05 US disclosed
US-20140353640-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 US disclosed
US-20140353640-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-12-04 US disclosed