SCHEMBL28666342

SCHEMBL28666342

Cc1nc2ccc3ccc4ccc(Cl)cc4c3c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.48
MPO P05164 2/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
CHEK1 O14757 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MPI P34949 1/20 0.39
HTT P42858 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
SCHEMBL30515148 1.00 TYMS (0.48) TYMSMPONPFFR1NPFFR2CHEK1
SCHEMBL26217310 0.80 KMT2A (0.48) TYMSALDH1A1MEN1KMT2AKDM4E
SCHEMBL30201111 0.77 SMN1; SMN2 (0.55) ALDH1A1KMT2AKDM4EMAPTHSD17B10
SCHEMBL18814306 0.77 SMN1; SMN2 (0.55) ALDH1A1KMT2AKDM4EMAPTHSD17B10
SCHEMBL30515190 0.75 TYMS (0.41) TYMSCHEK1ALDH1A1MEN1KMT2A
SCHEMBL28661651 0.75 TYMS (0.41) TYMSCHEK1ALDH1A1MEN1KMT2A
SCHEMBL30506055 0.73 TYMS (0.42) TYMSMPONPFFR1NPFFR2CHEK1
SCHEMBL28675341 0.73 TYMS (0.42) TYMSMPONPFFR1NPFFR2CHEK1
SCHEMBL1812732 0.72 ELANE (0.70) TYMSMPONPFFR1NPFFR2ALDH1A1
SCHEMBL31000399 0.72 ELANE (0.70) TYMSMPONPFFR1NPFFR2ALDH1A1

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-113816909-A Organic electroluminescent material containing phenanthrene structure and device thereof 武汉尚赛光电科技有限公司 2021-12-21 CN disclosed