SCHEMBL6982625

SCHEMBL6982625

CCC(COCc1ccccc1)Nc1nc(N)nc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.37
HTR7 P34969 1/20 0.35
GAA P10253 1/20 0.35
GHSR Q92847 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8070478 0.84 TSHR (0.43) TSHRLMNAMAPTHTR7KDM4E
SCHEMBL11819405 0.71 NPSR1 (0.59) TSHRSMN1; SMN2
SCHEMBL7731144 0.71 CCNE2 (0.56) TSHRLMNAMAPTHTR7
SCHEMBL8084534 0.70 ALDH1A1 (0.50) HTR7GAAKDM4E
SCHEMBL6261553 0.70 TSHR (0.33) TSHRLMNAMAPTKDM4ENPC1
SCHEMBL7613516 0.69 ALDH1A1 (0.38)
SCHEMBL8021955 0.68 HTR7 (0.53) TSHRLMNAMAPTHTR7KDM4E
SCHEMBL13075272 0.68 TSHR (0.48) TSHRCNR1
SCHEMBL6982621 0.67 MAPT (0.38) LMNAMAPTGHSR
SCHEMBL14421636 0.66 TACR1 (0.47) TSHRCNR1

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
EP-1037882-B1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER CROPSCIENCE AG (DE) 2003-11-05 EP disclosed
US-6407041-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed