SCHEMBL9524089

SCHEMBL9524089

CCOC(=O)c1c2n(c3c(NC(C)=O)c(N4CCN(C)CC4)c(F)cc3c1=O)C(C)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 9/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 3/20 0.37
ALB P02768 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 0.36
TUBA3C P0DPH7 4/20 0.36
TUBA1B P68363 4/20 0.36
TUBA4A P68366 4/20 0.36
TUBB4B P68371 4/20 0.36
TUBB3 Q13509 4/20 0.36
TUBB2A Q13885 4/20 0.36
TUBB8 Q3ZCM7 4/20 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
SCHEMBL9673019 0.89 KDM4E (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9522426 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9522607 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9523267 0.86 KMT2A (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9523028 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL10563103 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL10567676 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9672976 0.80 KDM4E (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL9791223 0.79 KMT2A (0.47) KMT2AALDH1A1HPGDKDM4ELMNA
SCHEMBL9674400 0.79 PIM1 (0.42) MEN1KMT2AALDH1A1HPGDKDM4E

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-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed