SCHEMBL9152131

SCHEMBL9152131

CN(C(=O)CN(C(=O)CN)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
AGTR2 P50052 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLQ O75417 2/20 0.41
KMT2A Q03164 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
FOLH1 Q04609 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 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
SCHEMBL8860046 0.91 KMT2A (0.46) GAAPOLQKMT2AALDH1A1GLA
SCHEMBL9153457 0.89 RAB9A (0.42) MAPTGAAPOLQKMT2AALDH1A1
SCHEMBL9153519 0.86 SLC6A2 (0.41) AGTR2KMT2AGPBAR1
SCHEMBL9156475 0.86 DRD4 (0.48) KDM4EHSD17B10POLQKMT2AALDH1A1
SCHEMBL9153579 0.85 KMT2A (0.40) POLQKMT2AALDH1A1GLATSHR
SCHEMBL9155738 0.84 LMNA (0.46) MAPTTSHR
SCHEMBL9154411 0.83 GABRP (0.41) MAPTALDH1A1GLATSHR
SCHEMBL9154159 0.83 GABRP (0.41) AGTR2
SCHEMBL9158562 0.82 GABRP (0.39) AGTR2GAAPOLQKMT2AALDH1A1
SCHEMBL7506948 0.82 POLQ (0.48) MAPTKDM4EGAAHSD17B10POLQ

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed