SCHEMBL8445875

SCHEMBL8445875

CCCCCCc1c(C)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
POLB P06746 1/20 0.68
ALDH1A1 P00352 5/20 0.65
HTT P42858 2/20 0.65
TSHR P16473 2/20 0.65
HTR6 P50406 1/20 0.61
HPGD P15428 3/20 0.60
HSD17B10 Q99714 3/20 0.60
GAA P10253 2/20 0.57
MAPT P10636 3/20 0.57
CYP3A4 P08684 1/20 0.57
PABPC1 P11940 1/20 0.57
ALOX15 P16050 1/20 0.57
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
RAB9A P51151 1/20 0.51
SLC2A1 P11166 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL8441371 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8440798 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8444727 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8444672 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8445695 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8442541 1.00 KDM4E (0.68) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL4921978 0.98 KDM4E (0.70) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8998008 0.93 KDM4E (0.72) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL8552151 0.87 ALDH1A1 (0.71) KDM4EPOLBALDH1A1HTTTSHR
SCHEMBL31091563 0.85 CHRNB2 (0.59) KDM4EPOLBALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5873932-A BLENDING AN ELECTRON DONATING COMPOUND, AN ELECTRON ACCEPTING COMPOUND, A METACHROMATIC TEMPERATURE ADJUSTER, AN ELECTRON ACCEPTING, LIGHT-FASTNESS PROVIDING AGENT THE PILOT INK CO., LTD. (JP) 1999-02-23 US disclosed