SCHEMBL28844229

SCHEMBL28844229

O=C(O)c1cn2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 1/20 0.43
DHODH Q02127 5/20 0.42
PTGER1 P34995 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
CREBBP Q92793 1/20 0.39
HNF4A P41235 1/20 0.39
ICMT O60725 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
KMO O15229 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL17331691 0.82 KDM4E (0.55) KDM4EALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL17331720 0.77 DHODH (0.38) DHODHPTGER1KDM4ENPC1ALDH1A1
SCHEMBL17331406 0.74 TAAR1 (0.43) DHODHKDM4ENPC1ALDH1A1MAPT
SCHEMBL269851 0.71 HTT (0.59) DCLRE1BDHODHNR4A1NR4A2NR4A3
SCHEMBL31397801 0.71 HTT (0.59) DCLRE1BDHODHNR4A1NR4A2NR4A3
SCHEMBL28146473 0.71 ALDH1A1 (0.44) DHODHKDM4ENPC1ALDH1A1MAPT
SCHEMBL27836738 0.71 KDM4E (0.58) DHODHKDM4ENPC1ALDH1A1MAPT
SCHEMBL28145385 0.70 ALDH1A1 (0.46) DHODHNR4A1KDM4ENPC1ALDH1A1
SCHEMBL2807005 0.70 ALDH1A1 (0.56) DHODHKDM4ENPC1ALDH1A1MAPT
SCHEMBL28145413 0.69 TRPV1 (0.47) DCLRE1BDHODHNR4A1NR4A2NR4A3

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
CN-106661019-A Indolizine derivatives as phoshoinositide 3-kinases inhibitors 奇斯药制品公司 2017-05-10 CN disclosed