SCHEMBL28982017

SCHEMBL28982017

CCCCCCCCCCCCn1cc(C)nc1C.F[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 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
SCHEMBL28975141 1.00 TLR8 (0.41) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL28981991 1.00 TLR8 (0.41) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL27150175 0.93 ALDH1A1 (0.44) TLR8ALDH1A1KMT2APOLB
SCHEMBL11534207 0.93 TLR8 (0.43) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL2229403 0.93 TLR8 (0.43) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL19286106 0.93 TLR8 (0.43) TLR8ALDH1A1KMT2APOLBTDP1
Iodide SCHEMBL1308346 0.91 TLR8 (0.42) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL20245453 0.91 ALDH1A1 (0.44) TLR8ALDH1A1KMT2APOLBTDP1
SCHEMBL4342786 0.86 ALDH1A1 (0.50) TLR8ALDH1A1KMT2APOLBGAA
SCHEMBL28696314 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ACYP1A2MEN1

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-111435705-B Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2023-04-07 CN claimed