SCHEMBL29094580

SCHEMBL29094580

C=C(C)c1nc(Cl)cc(-c2cccn2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CXCR2 P25025 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2A13 Q16696 1/20 0.33
PAX8 Q06710 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL29094518 0.79 ALOX15 (0.41) ALOX15HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL8329202 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4E
SCHEMBL29094466 0.75 ALOX15 (0.37) ALOX15HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL16035268 0.72 LMNA (0.46) KMT2AALDH1A1PAX8LMNASMN1; SMN2
SCHEMBL29094509 0.68 ALDH1A1 (0.44) ALOX15KMT2AKDM4EALDH1A1NPC1
SCHEMBL439225 0.65 KDM4E (0.49) ALOX15KMT2AMEN1KDM4EALDH1A1
SCHEMBL3469899 0.64 KDM4E (0.42) ALOX15KMT2AMEN1KDM4EALDH1A1
SCHEMBL2117930 0.63 ALDH1A1 (0.41) ALOX15KMT2AMEN1KDM4EALDH1A1
SCHEMBL2115936 0.63 ALDH1A1 (0.41) ALOX15KMT2AMEN1CXCR2KDM4E
SCHEMBL12035536 0.63 ALDH1A1 (0.41) ALOX15KMT2AMEN1KDM4EALDH1A1

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
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 CN disclosed