SCHEMBL8993442

SCHEMBL8993442

Cc1cc(C)nc(Oc2ccccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
AR P10275 2/20 0.39

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
SCHEMBL9858859 0.87 SMN1; SMN2 (0.59) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL15916488 0.81 LMNA (0.55) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL7303768 0.81 SMN1; SMN2 (0.48) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL22724729 0.78 PAX8 (0.51) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL17623909 0.76 MEN1 (0.56) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL1748539 0.75 SMN1; SMN2 (0.55) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL10411730 0.75 PAX8 (0.56) MEN1KMT2AHPGDSMN1; SMN2TSHR
SCHEMBL127000 0.75 TSHR (0.65) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL29637724 0.75 TSHR (0.65) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL19317602 0.74 KMT2A (0.50) MEN1KMT2AHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315889-B1 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-07-17 EP disclosed
EP-0335409-B1 Pyrimidine derivatives, processes for their production and herbicidal compositions containing them KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-12-07 EP disclosed
US-4969949-A NONPHYTOTOXIC KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-13 US disclosed
US-4923501-A COTTON; NONPHYTOTOXIC KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-05-08 US disclosed
EP-0335409-A2 Pyrimidine derivatives, processes for their production and herbicidal compositions containing them KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-10-04 EP disclosed
EP-0315889-A2 Pyrimidine derivatives, processes for their production, and herbicidal method and compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-05-17 EP disclosed