SCHEMBL29227517

SCHEMBL29227517

CCC(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.46
▸ VNN1 O95497 1/20 0.46
▸ LOXL2 Q9Y4K0 2/20 0.45
▸ LOX P28300 1/20 0.44
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL17207198 0.85 ALDH1A1 (0.56) DDR1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL30016275 0.83 PTPN1 (0.50) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL16056650 0.83 PTPN1 (0.50) DDR1VNN1LOXL2LOXSMARCA2
Alcohol SCHEMBL28244007 0.82 KDM4C (0.47) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL16690807 0.81 SMARCA2 (0.49) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL30016958 0.81 SMARCA2 (0.49) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL25334034 0.81 PLOD2 (0.61) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL29227518 0.81 VNN1 (0.44) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL28019417 0.80 VNN1 (0.58) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL16632312 0.80 VNN1 (0.43) DDR1VNN1LOXL2LOXSMARCA2

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-118160429-A An organic electronic device comprising a substrate, an anode layer, a cathode layer, at least one first light emitting layer and a hole injection layer, wherein the hole injection layer comprises a metal complex of formula (I) and a compound of formula (II), wherein the hole injection layer is arranged between the anode layer and the at least one first light emitting layer 诺瓦尔德股份有限公司 2024-06-07 — — CN disclosed
CN-117941486-A Organic electronic device comprising at least one metal complex of formula (I) 诺瓦尔德股份有限公司 2024-04-26 — — CN disclosed
CN-117940439-A Compound, semiconductor layer containing the same, and organic electronic device 诺瓦尔德股份有限公司 2024-04-26 — — CN disclosed
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