SCHEMBL10848645

SCHEMBL10848645

N#Cc1cnn(-c2cccc(Cl)c2Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL10851651 0.87 PKM (0.40) P2RX7RXRARXRBRXRGKDM4E
SCHEMBL10850856 0.86 NOTUM (0.36) P2RX7RXRARXRBRXRGCNR2
SCHEMBL838856 0.85 KMT2A (0.51) P2RX7DRD2HTR2ARXRARXRB
SCHEMBL10616320 0.76 PTGS1 (0.52) P2RX7DRD2HTR2ARXRARXRB
SCHEMBL10851281 0.76 RXRA (0.35) RXRARXRBRXRGKDM4EKMT2A
SCHEMBL10851575 0.76 RXRA (0.37) RXRARXRBRXRGKDM4EKMT2A
SCHEMBL4756363 0.76 P2RX7 (0.57) P2RX7KDM4E
SCHEMBL10850429 0.75 KDM4E (0.45) RXRARXRBRXRGCNR2CNR1
SCHEMBL11094559 0.74 PTGS1 (0.45) P2RX7DRD2HTR2ADRD1DRD4
SCHEMBL26120479 0.73 SMN1; SMN2 (0.47) RXRARXRBRXRGKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563210-A PRE-AND POSTEMERGENCE ELI LILLY AND COMPANY (US) 1986-01-07 US claimed
US-4563210-A PRE-AND POSTEMERGENCE ELI LILLY AND COMPANY (US) 1986-01-07 US disclosed