SCHEMBL8102290

SCHEMBL8102290

Cc1cc(C)n2c(=O)cc(-c3cccc4ccccc34)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL8100163 0.86 PKM (0.44) MEN1KMT2AFLT3KDM4EALDH1A1
SCHEMBL7920472 0.81 DCTPP1 (0.48) KDM4EALDH1A1HPGDIDH1GAA
SCHEMBL8092506 0.79 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL16805033 0.78 MEN1 (0.50) MEN1KMT2AFLT3KDM4EALDH1A1
SCHEMBL8106201 0.77 CTRC (0.45) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8099799 0.77 NPC1 (0.51) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8101985 0.76 GRIN1 (0.46) MEN1KMT2AFLT3KDM4EALDH1A1
SCHEMBL8108277 0.75 RAD51 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8102203 0.72 HSP90AA1 (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8100020 0.71 RAD51 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD

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-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed