SCHEMBL6441326

SCHEMBL6441326

CC(C)n1cnc2cc(C(N)=O)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.76
FGFR1 P11362 3/20 0.56
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 5/20 0.44
GFER P55789 1/20 0.44
TNIK Q9UKE5 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8363135 0.86 HCAR3 (0.78) HCAR3FGFR1RAB9ANPC1KDM4E
SCHEMBL31591951 0.83 HCAR3 (0.53) HCAR3FGFR1RAB9ANPC1KMT2A
SCHEMBL7721164 0.82 HCAR3 (0.72) HCAR3FGFR1RAB9ANPC1KMT2A
SCHEMBL1299105 0.80 FGFR1 (0.60) HCAR3FGFR1RAB9ANPC1KMT2A
SCHEMBL20454191 0.79 HCAR3 (0.49) HCAR3FGFR1KMT2AALDH1A1HSD17B10
SCHEMBL16318608 0.76 FGFR1 (0.60) HCAR3FGFR1KMT2AKDM4EALDH1A1
SCHEMBL16595805 0.76 HCAR3 (0.67) HCAR3FGFR1RAB9ANPC1KDM4E
SCHEMBL16496056 0.76 FGFR1 (0.56) HCAR3FGFR1KMT2AKDM4EALDH1A1
SCHEMBL12730480 0.76 HCAR3 (0.62) HCAR3FGFR1RAB9ANPC1KMT2A
SCHEMBL7031069 0.76 HCAR3 (0.58) HCAR3FGFR1RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448908-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-12-09 CN disclosed
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed