SCHEMBL17670515

SCHEMBL17670515

CSCCN(C(C)=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
NOS1 P29475 1/20 0.38
PARP10 Q53GL7 7/20 0.37
PARP4 Q9UKK3 2/20 0.36
PARP1 P09874 2/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP16 Q8N5Y8 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PLA2G10 O15496 1/20 0.34

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
SCHEMBL8425367 0.82 PARP10 (0.43) NPC1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL28272036 0.80 ALDH1A1 (0.47) NPC1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8048720 0.79 MAPK1 (0.43) NPC1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL17670527 0.79 CA2 (0.47) NPC1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL28742524 0.70 NOS1 (0.48) KMT2ANOS1PARP10PARP4PARP1
SCHEMBL3205714 0.69 SMN1; SMN2 (0.49) NPC1SMN1; SMN2KMT2ARAB9ANOS1
SCHEMBL6909286 0.68 CA2 (0.42) SMN1; SMN2KMT2AKDM4EMEN1CA2
SCHEMBL27365059 0.68 CYP3A4 (0.41) KMT2AKDM4EMEN1CA2CA1
SCHEMBL3692845 0.67 MAPT (0.46) NPC1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL17670518 0.67 PARP10 (0.41) NPC1SMN1; SMN2KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404947-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-12-21 US disclosed
US-11771665-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-10-03 US disclosed
US-20220347126-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2022-11-03 US disclosed
US-11406607-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2022-08-09 US disclosed
US-20160102052-A1 Use of Cysteamine in Treating Infections caused by Yeasts/Moulds NOVABIOTICS LIMITED (GB) 2016-04-14 US disclosed