SCHEMBL28458396

SCHEMBL28458396

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3c4ccccc4c(Br)c4ccccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.39
GPR84 Q9NQS5 1/20 0.38
DHODH Q02127 1/20 0.38
TSHR P16473 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
XDH P47989 1/20 0.36
ASIC1 P78348 1/20 0.35
CCR4 P51679 1/20 0.35
TP53 P04637 2/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL2448770 0.90 TNKS (0.40) KIF11GPR84TSHRTNKSTNKS2
SCHEMBL28269504 0.81 GPR84 (0.51) KIF11GPR84DHODHTSHRTNKS
SCHEMBL2085368 0.80 CRHBP (0.43) GPR84AKR1C2AKR1C1ALDH1A1MAPT
SCHEMBL5955995 0.80 KIF11 (0.46) KIF11GPR84TSHRTNKSTNKS2
SCHEMBL14181764 0.80 PTPN1 (0.41) ALDH1A1MAPT
SCHEMBL2700290 0.79 KIF11 (0.42) KIF11GPR84TNKSTNKS2ALDH1A1
SCHEMBL19862724 0.78 MAPK1 (0.44) AKR1C2AKR1C1ALDH1A1MAPTEGFR
SCHEMBL28015380 0.78 KIF11 (0.46) KIF11ALDH1A1RXRARXRB
SCHEMBL29827363 0.78 KIF11 (0.45) KIF11GPR84DHODHALDH1A1MAPT
SCHEMBL2699352 0.77 KIF11 (0.39) KIF11GPR84SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336784-B Soluble branch-substituted anthracene-based deep blue light material and preparation and application thereof 华南理工大学 2020-09-22 CN claimed
CN-109336784-B Soluble branch-substituted anthracene-based deep blue light material and preparation and application thereof 华南理工大学 2020-09-22 CN disclosed