SCHEMBL3264017

SCHEMBL3264017

O=C(C(CCCCOc1cccc(F)c1F)n1cncn1)C1(Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
GRM2 Q14416 2/20 0.36
CTSB P07858 1/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL3232108 0.89 MAPK1 (0.40) MAPK1GRM2CTSBMEN1USP2
SCHEMBL3236033 0.86 MAPK1 (0.38) MAPK1GRM2CTSBMEN1USP2
SCHEMBL3227312 0.83 GRM5 (0.35) MAPK1CTSBTSHRKDM4E
SCHEMBL3230952 0.80 HRH3 (0.41) MAPK1TSHRKDM4E
SCHEMBL3237661 0.80 MAPK1 (0.40) MAPK1GRM2CTSBMEN1KMT2A
SCHEMBL3232029 0.79 MAPK1 (0.46) MAPK1GRM2MEN1USP2TSHR
SCHEMBL3266419 0.76 MAPK1 (0.40) MAPK1GRM2CTSBMEN1USP2
SCHEMBL3238154 0.76 MAPK1 (0.38) MAPK1GRM2MEN1USP2TSHR
SCHEMBL10509423 0.75 MAPK1 (0.44) MAPK1GRM2MEN1USP2TSHR
SCHEMBL2170715 0.74 MAPK1 (0.44) MAPK1GRM2MEN1USP2TSHR

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