SCHEMBL7501802

SCHEMBL7501802

COc1ccc2nc(COCc3ccccc3)nc(Cl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.44
CYP2E1 P05181 2/20 0.43
CYP2C8 P10632 2/20 0.43

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
SCHEMBL30170681 0.81 DHODH (0.42) DHODHKDM4EPDE3BPDE3A
SCHEMBL6471210 0.81 EGFR (0.50) DHODHKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL7417417 0.79 ALDH1A1 (0.47) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7416806 0.75 NMT2 (0.48) KDM4EALDH1A1CYP2E1CYP2C8CYP2D6
SCHEMBL4841956 0.74 PDE4A (0.46) DHODHKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL1257525 0.74 KDM4E (0.50) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL26616036 0.73 EGFR (0.53) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29532068 0.73 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL857818 0.73 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8015036 0.72 LMNA (0.56) KDM4EALDH1A1RAB9AKMT2ATDP1

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
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN disclosed