SCHEMBL8307880

SCHEMBL8307880

CCc1ccccc1Nc1ncnc(CC)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.52
P2RX7 Q99572 2/20 0.47
EGFR P00533 2/20 0.44
GAA P10253 1/20 0.44
MAPK14 Q16539 1/20 0.40
TP53 P04637 2/20 0.40
KHK P50053 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL5357967 0.78 KMT2A (0.57) MEN1KMT2AMAPTP2RX7EGFR
SCHEMBL9403797 0.71 MPO (0.40) MAPTEGFR
SCHEMBL1548694 0.71 ALDH1A1 (0.54) MEN1KMT2AMAPTGAAPOLB
SCHEMBL9617964 0.71 KCNQ2 (0.44) MEN1KMT2AMAPTTP53POLB
SCHEMBL8307878 0.70 HTT (0.54) MAPTEGFRTSHR
SCHEMBL17085318 0.70 GALR3 (0.54) EGFR
SCHEMBL2461566 0.70 EGFR (0.68) MEN1KMT2AEGFRGAA
SCHEMBL13064098 0.69 SELE (0.35) POLB
SCHEMBL18951516 0.69 MEN1 (0.52) MEN1KMT2AMAPTP2RX7EGFR
SCHEMBL3802570 0.69 PIP4K2C (0.53) MEN1KMT2AMAPTEGFRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 US disclosed
EP-0555388-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-18 EP disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed