SCHEMBL3232108

SCHEMBL3232108

CC1(C(=O)C(CCCCOc2cccc(F)c2F)n2cncn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
GRM2 Q14416 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.34
CTSB P07858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
DRD2 P14416 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
SCHEMBL3236033 0.95 MAPK1 (0.38) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3264017 0.89 MAPK1 (0.40) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3232029 0.88 MAPK1 (0.46) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3238154 0.87 MAPK1 (0.38) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL10509423 0.83 MAPK1 (0.44) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3245750 0.83 MAPK1 (0.36) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3266419 0.80 MAPK1 (0.40) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL3235712 0.79 HRH3 (0.41) KDM4E
SCHEMBL3238214 0.78 MAPK1 (0.39) MAPK1GRM2CTSBDRD2
SCHEMBL3237661 0.76 MAPK1 (0.40) MAPK1GRM2MEN1KMT2ACTSB

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
WO-2010029066-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed