SCHEMBL28974294

SCHEMBL28974294

Oc1ccc(C(F)(F)F)cn1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
GFER P55789 1/20 0.41
KIF11 P52732 1/20 0.41
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.39
COMT P21964 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
DEGS1 O15121 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
SCHEMBL30357010 0.98 KMT2A (0.52) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL525257 0.98 KMT2A (0.52) KMT2ARAB9AMAPTNPC1MEN1
Dipyridyl SCHEMBL29260202 0.82 LMNA (0.47) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL3968481 0.81 KIF11 (0.57) KIF11COMT
SCHEMBL19724354 0.80 ESR1 (0.37) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL5646066 0.79 MAPT (0.58) KMT2ARAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL11971888 0.76 PDE2A (0.38) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL6370603 0.74 LMNA (0.48) KMT2ARAB9AMAPTNPC1MEN1
SCHEMBL8765704 0.74 TSHR (0.35) KMT2ATSHR
SCHEMBL10039393 0.74 ESR1 (0.67) KMT2ARAB9AMAPTNPC1MEN1

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
CN-115863763-A Lithium ion electrolyte additive, lithium ion electrolyte, preparation method of lithium ion electrolyte, lithium battery and electric equipment 河南省鹏辉电源有限公司 2023-03-28 CN claimed
CN-115863763-A Lithium ion electrolyte additive, lithium ion electrolyte, preparation method of lithium ion electrolyte, lithium battery and electric equipment 河南省鹏辉电源有限公司 2023-03-28 CN disclosed
CN-115863763-A Lithium ion electrolyte additive, lithium ion electrolyte, preparation method of lithium ion electrolyte, lithium battery and electric equipment 河南省鹏辉电源有限公司 2023-03-28 CN disclosed