SCHEMBL30170935

SCHEMBL30170935

CN(C)c1ccc2ccccc2c1-c1c(P(C(C)(C)C)C(C)(C)C)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MCL1 Q07820 1/20 0.34
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2A6 P11509 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL227099 1.00 MAPT (0.34) MAPTCHEK1NEK2LIMK1DYRK1A
SCHEMBL30222010 0.87 MAPT (0.42) MAPTALDH1A1TDP1CYP2A6TSHR
SCHEMBL2023656 0.87 MAPT (0.42) MAPTALDH1A1TDP1CYP2A6TSHR
SCHEMBL6519885 0.80 MAPT (0.39) MAPTCHEK1NEK2LIMK1DYRK1A
SCHEMBL4425865 0.79 MAPT (0.34) MAPTCHEK1NEK2LIMK1DYRK1A
SCHEMBL24272784 0.77 NR1I2 (0.32) MCL1SIGMAR1GAACYP2D6
SCHEMBL3656667 0.76 DHFR (0.40) MAPTALDH1A1TDP1CYP2A6TSHR
SCHEMBL202312 0.76 DHFR (0.40) MAPTALDH1A1TDP1CYP2A6TSHR
SCHEMBL29376410 0.76 DHFR (0.40) MAPTALDH1A1TDP1CYP2A6TSHR
SCHEMBL2017985 0.76 MAPT (0.67) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2

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-113105384-B Preparation method of carbazole and fluorene organic electroluminescent intermediate 江苏广域化学有限公司 2022-11-01 CN disclosed