SCHEMBL8577797

SCHEMBL8577797

Cc1ccccc1C(=O)c1cncnc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
ALPL P05186 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
CSF1R P07333 1/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 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
SCHEMBL1012918 0.74 HCAR2 (0.39) L3MBTL1ALOX15KMT2AHPGDTHRB
SCHEMBL8576768 0.73 ADORA1 (0.44) NPC1RAB9AMAPK1KMT2AHPGD
SCHEMBL29387256 0.73 CYP3A4 (0.55) ALPLTP53HTTKMT2AHPGD
SCHEMBL333141 0.73 CYP3A4 (0.55) ALPLTP53HTTKMT2AHPGD
SCHEMBL8580209 0.73 DGAT1 (0.33) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL22907602 0.73 SIRT3 (0.42) L3MBTL1
SCHEMBL10669335 0.71 CYP3A4 (0.59) ALPLTP53HTTKMT2AHPGD
SCHEMBL8581181 0.68 MGLL (0.36) L3MBTL1KMT2A
SCHEMBL8577603 0.68 GAA (0.47) ALOX15KMT2A
SCHEMBL1106088 0.67 DGAT1 (0.35)

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-5773388-A Pyrimidine derivatives, herbicides and plant growth regulators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-30 US disclosed
EP-0713872-A1 NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-29 EP disclosed