SCHEMBL7740434

SCHEMBL7740434

CCNc1nc(OC)n(Cc2ccccc2)c2ncnc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL7740439 0.74 ENPP1 (0.39) PGK1KMT2AMEN1NPC1RAB9A
SCHEMBL1387903 0.74 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7865196 0.69 KMT2A (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6155946 0.66 KDM4E (0.47) KMT2AMEN1NPC1RAB9ATLR7
SCHEMBL28939432 0.66 HPGD (0.47) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL5132410 0.66 ADORA2A (0.67) KMT2AMEN1NPC1RAB9A
SCHEMBL22680657 0.63 BRD4 (0.49) KMT2AMEN1POLBALDH1A1TSHR
SCHEMBL6154837 0.63 ALDH1A1 (0.48) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1388236 0.63 PDE4A (0.52) ALDH1A1HTTSMN1; SMN2
SCHEMBL6155919 0.63 KDM4E (0.43) KMT2AMEN1NPC1RAB9ATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed