SCHEMBL7643270

SCHEMBL7643270

Cn1c2c(c3ccccc31)-c1ccccc1C2C(C)(C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.38
NTRK1 P04629 2/20 0.35
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
CDC25A P30304 1/20 0.33
CDC25C P30307 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
HSD17B10 Q99714 3/20 0.31
GAA P10253 2/20 0.31
KIF11 P52732 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ALKBH5 Q6P6C2 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
SCHEMBL7128408 0.97 GPR3 (0.40) GPR3NTRK1KMT2ALMNACDC25A
SCHEMBL7128806 0.80 KDM4E (0.43) KMT2ALMNAKDM4EALDH1A1MAPT
SCHEMBL7129142 0.77 NTRK1 (0.38) GPR3NTRK1KMT2ALMNAKDM4E
SCHEMBL7643266 0.75 PNMT (0.31)
SCHEMBL7126885 0.75 GPR3 (0.41) GPR3NTRK1KMT2ALMNACDC25A
SCHEMBL7124307 0.75 GPR3 (0.41) GPR3NTRK1LMNACDC25ACDC25C
SCHEMBL7638144 0.75 GPR3 (0.41) GPR3NTRK1KMT2ALMNACDC25A
SCHEMBL7125690 0.74 GPR3 (0.38) GPR3NTRK1LMNACDC25ACDC25C
SCHEMBL5837267 0.74 GPR3 (0.46) GPR3KMT2AALDH1A1MEN1IDO1
Hydrochloric Acid SCHEMBL7126873 0.74 GPR3 (0.40) GPR3NTRK1KMT2ALMNACDC25A

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
US-6451724-B1 BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-17 US disclosed