SCHEMBL7606537

SCHEMBL7606537

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 2/20 0.61
MEN1 O00255 3/20 0.60
P2RX1 P51575 2/20 0.57
SLC2A1 P11166 1/20 0.57
P2RX4 Q99571 1/20 0.57
P2RX7 Q99572 1/20 0.57
TMPRSS4 Q9NRS4 1/20 0.57
TSHR P16473 3/20 0.57
IDE P14735 1/20 0.57
MAPK1 P28482 1/20 0.57
MAPK10 P53779 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
PTGS1 P23219 1/20 0.54
USP2 O75604 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL13561074 0.91 KMT2A (0.72) KMT2AALDH1A1MAPTMEN1P2RX1
SCHEMBL13550114 0.83 KMT2A (0.62) KMT2AMAPTMEN1P2RX1SLC2A1
SCHEMBL28290705 0.82 KMT2A (0.71) KMT2AMAPTMEN1P2RX1TSHR
SCHEMBL30360592 0.82 KMT2A (0.71) KMT2AMAPTMEN1P2RX1TSHR
SCHEMBL30184383 0.82 KMT2A (0.56) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL28969533 0.82 KMT2A (0.56) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL17448400 0.81 P2RX1 (0.63) KMT2AP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL30184289 0.81 HTT (0.56) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL25592374 0.81 HTT (0.56) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7953536 0.80 MAPT (0.69) KMT2AALDH1A1MAPTMAPK1RAB9A

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
EP-0806414-B1 Intermediates for herbicidal carboxamide derivatives BASF AG (DE) 2002-06-12 EP disclosed