SCHEMBL22014825

SCHEMBL22014825

NCCS(=O)(=O)CC(=O)N1C[C@@H]2CN(c3ccc(Br)cc3)C[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 2/20 0.38
EIF4H Q15056 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 6/20 0.35
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
GLA P06280 1/20 0.33
GRK2 P25098 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LSS P48449 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22014833 0.88 RAB9A (0.40) SMN1; SMN2LMNAKMT2AEIF4HMEN1
SCHEMBL22014827 0.88 KMT2A (0.46) SMN1; SMN2LMNAKMT2ARECQLMEN1
SCHEMBL22014820 0.83 ACACB (0.40) SMN1; SMN2MAPT
SCHEMBL24209125 0.78 SMN1; SMN2 (0.34) SMN1; SMN2LMNAKMT2ARECQLEIF4H
SCHEMBL22014835 0.78 EIF4H (0.36) SMN1; SMN2LMNAKMT2ARECQLEIF4H
SCHEMBL22014834 0.76 KMT2A (0.30) KMT2A
SCHEMBL22014822 0.73 NPC1 (0.48) LMNAKMT2ATSHRALDH1A1GAA
SCHEMBL22804923 0.72 AKR1C3 (0.44) KMT2APOLBTSHRMAPTAKR1C3
SCHEMBL23701365 0.72 AKR1C3 (0.44) KMT2APOLBTSHRMAPTAKR1C3
SCHEMBL22015313 0.70 ALDH1A1 (0.59) SMN1; SMN2LMNAKMT2APOLBTSHR

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
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed