SCHEMBL4445212

SCHEMBL4445212

CCCc1nc2[nH]c(=O)n(CCC)c(=O)c2n1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ADORA2B P29275 12/20 0.47
ADORA2A P29274 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL12152136 0.83 PDE4A (0.40) KDM4EMEN1KMT2AADORA2BADORA2A
SCHEMBL4445208 0.77 PDE4A (0.54) KDM4EADORA2BADORA2AADORA3PDE4A
SCHEMBL8352087 0.74 ADORA2B (0.63) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL3902925 0.72 KDM4E (0.46) KDM4EMEN1KMT2AADORA2APDE4A
SCHEMBL2958489 0.72 ADORA2B (0.58) KDM4EMEN1KMT2AADORA2BADORA2A
SCHEMBL10650075 0.71 MEN1 (0.35) KDM4EMEN1KMT2AADORA2BADORA2A
SCHEMBL7456409 0.70 ADORA2B (0.34) KDM4EMEN1KMT2AADORA2BADORA2A
SCHEMBL8355196 0.70 CYP3A4 (0.64) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL3228294 0.70 ATM (0.46) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL14629809 0.69 SMN1; SMN2 (0.51) KDM4EKMT2AADORA2BADORA2AADORA3

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
CN-112088010-A Compositions and methods for treating vaginal dryness 宝洁公司 2020-12-15 CN disclosed
US-20090220968-A1 Methods and Apparatus for Near Field Irradiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-03 US disclosed
EP-1996320-A2 METHODS AND APPARATUS FOR NEAR FIELD IRRADIATION The President and Fellows of Harvard College (US) 2008-12-03 EP disclosed
WO-2007106402-A2 METHODS AND APPARATUS FOR NEAR FIELD IRRADIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-09-20 WO disclosed