SCHEMBL10403241

SCHEMBL10403241

O=C(O)c1c(=O)c2c(F)c(F)c(N3CCNCC3)c(F)c2n2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
IDO1 P14902 1/20 0.36
TOP2A P11388 4/20 0.35
TOP2B Q02880 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.34
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL10404129 0.86 ALDH1A1 (0.43) ALDH1A1IDO1MEN1KMT2AHSD17B10
SCHEMBL10404626 0.75 ALDH1A1 (0.44) ALDH1A1IDO1MEN1KMT2AKDM4E
SCHEMBL10404359 0.72 KDM4E (0.53) ALDH1A1LMNATOP2ATOP2BMEN1
SCHEMBL10385618 0.68 ALDH1A1 (0.52) ALDH1A1IDO1MEN1KMT2AHSD17B10
SCHEMBL10449186 0.67 MEN1 (0.73) ALDH1A1LMNATOP2ATOP2BMEN1
Hydrochloric Acid SCHEMBL10581429 0.67 MEN1 (0.72) ALDH1A1LMNATOP2ATOP2BMEN1
SCHEMBL27408658 0.66 ALDH1A1 (0.41) ALDH1A1LMNATOP2ATOP2BMEN1
SCHEMBL10771874 0.66 ALDH1A1 (0.39) ALDH1A1LMNATOP2ATOP2BMEN1
SCHEMBL9791267 0.66 KDM4E (0.32) ALDH1A1LMNATOP2ATOP2BHSD17B10
SCHEMBL10744060 0.65 HTR3E (0.34) ALDH1A1LMNAHTR3EHTR3BHTR3A

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-4923868-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1990-05-08 US claimed