SCHEMBL8699207

SCHEMBL8699207

CCc1cc(OC(=O)Nc2ccccc2)c(N2CCNCC2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 4/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
BLM P54132 1/20 0.37
P2RY12 Q9H244 2/20 0.37
BCHE P06276 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8700308 0.83 PTPN11 (0.48) ALDH1A1HTTACHEKMT2AMEN1
SCHEMBL9057485 0.72 NPY5R (0.39) ALDH1A1KMT2AKDM4EMEN1P2RY12
SCHEMBL25271584 0.68 RAB9A (0.60) GAAALDH1A1RAB9AHTTKMT2A
SCHEMBL9576747 0.68 RAB9A (0.54) GAAALDH1A1RAB9APOLBHTT
SCHEMBL28752268 0.67 POLB (0.58) GAAALDH1A1RAB9APOLBHTT
Ethyl Phenylcarbamate SCHEMBL28405611 0.67 RAB9A (0.63) GAAALDH1A1RAB9APOLBKDM4E
SCHEMBL10583557 0.66 KDM4E (0.49) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL18553809 0.66 MT-CO2 (0.50) GAAALDH1A1RAB9APOLBKMT2A
SCHEMBL6956738 0.65 PHGDH (0.38) ALDH1A1POLBKMT2AMEN1P2RY12
SCHEMBL27598836 0.64 KMT2A (0.69) GAAALDH1A1RAB9APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed