SCHEMBL4413684

SCHEMBL4413684

O=C(O)Cn1cc(C(F)Cc2ccccc2-c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 3/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
STAT3 P40763 1/20 0.40
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL4413679 0.68 PTGDR2 (0.44) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4527403 0.67 KMT2A (0.48) ALDH1A1KMT2APOLBKDM4EMCL1
SCHEMBL1520240 0.67 TBXAS1 (0.64) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL11828037 0.67 KMT2A (0.51) KMT2AMEN1KDM4EPTGDR2
SCHEMBL27623264 0.66 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL27915317 0.66 CNR2 (0.51) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL698227 0.66 KMT2A (0.46) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL22974987 0.66 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL3540535 0.66 SUCNR1 (0.56) KMT2AKDM4EAKR1B1PTGDR2
SCHEMBL31370463 0.65 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPTKDM4E

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-2009063215-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed