SCHEMBL8112450

SCHEMBL8112450

COc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.74
ALDH1A1 P00352 11/20 0.74
L3MBTL1 Q9Y468 5/20 0.74
LMNA P02545 5/20 0.74
TDP1 Q9NUW8 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
KMT2A Q03164 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
MEN1 O00255 4/20 0.70
RAB9A P51151 3/20 0.70
POLB P06746 2/20 0.70
NPC1 O15118 2/20 0.70
NQO2 P16083 1/20 0.70
RECQL P46063 2/20 0.66
MAPK1 P28482 1/20 0.66
MAPT P10636 2/20 0.62
GPR55 Q9Y2T6 1/20 0.62
MAPK14 Q16539 1/20 0.61
TP53 P04637 2/20 0.60
ALOX12 P18054 2/20 0.58

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
SCHEMBL31070199 1.00 KDM4E (0.74) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL14076263 0.91 ALDH1A1 (0.73) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL2867767 0.89 MAPK14 (0.69) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL28459393 0.89 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL6304505 0.89 KDM4E (0.62) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL10690882 0.88 ALDH1A1 (0.63) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL12062005 0.85 ALDH1A1 (0.76) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL15056743 0.85 KDM4E (1.00) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL12341701 0.84 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL12964202 0.84 KMT2A (0.73) KDM4EALDH1A1L3MBTL1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116496-B Synthetic method of quinoxaline heterocyclic derivative 扬州大学 2021-12-31 CN disclosed
CN-111116496-A Synthetic method of quinoxaline heterocyclic derivative 扬州大学 2020-05-08 CN disclosed
EP-0562915-B1 Heterocyclic chromenes and their use in ophthalmic optics TRANSITIONS OPTICAL INC (US) 2000-07-05 EP disclosed
US-5754271-A PHOTOCHROMIC DYES FOR SUNGLASSES AND CONTACT LENSES ESSILOR INTERNATIONAL (COMPAGNIE GENERAL D'OPTIQUE) (FR) 1998-05-19 US disclosed
US-5631720-A POLYMERIC LENS COMPRISING PHOTOCHROMIC COMPOUND COATINGS CHANGING COLOR UPON EXPOSURE TO ULTRAVIOLET RADIATION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 1997-05-20 US disclosed
US-5527911-A USEFUL IN OPHTHALMIC OPTICS ESSILOR INTERNATIONAL (FR) 1996-06-18 US disclosed
EP-0562915-A1 Heterocyclic chromenes and their use in ophthalmic optics ESSILOR INTERNATIONAL Compagnie Générale d'Optique (FR) 1993-09-29 EP disclosed
EP-0220589-B1 PHOTOPOLYMERISABLE COMPOUND AND REGISTRATION MATERIAL CONTAINING IT HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
US-4737445-A 2,3-DIHYDRO-1H-CYCLOPENTA(B)QUINOLINE HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-12 US disclosed