SCHEMBL30944286

SCHEMBL30944286

CC12CCCC(C(=O)Nc3nc4ccc(Cl)cc4s3)(CCC1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.58
FSCN1 Q16658 1/20 0.58
CASP3 P42574 10/20 0.55
SENP7 Q9BQF6 10/20 0.55
SENP8 Q96LD8 9/20 0.55
SENP6 Q9GZR1 9/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.51
CLK1 P49759 1/20 0.51
PTPN1 P18031 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 4/20 0.48

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
SCHEMBL28512789 1.00 DYRK1A (0.58) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL30944291 0.87 ADORA1 (0.58) DYRK1ACYP2D6CYP2B6CYP2C19NPC1
SCHEMBL28530522 0.87 ADORA1 (0.58) DYRK1ACYP2D6CYP2B6CYP2C19NPC1
SCHEMBL30944383 0.85 DYRK1A (0.56) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL30944285 0.84 DYRK1A (0.60) DYRK1ACYP2D6NPC1RAB9A
SCHEMBL28530536 0.84 DYRK1A (0.60) DYRK1ACYP2D6NPC1RAB9A
SCHEMBL30944289 0.83 NPC1 (0.49) DYRK1ACYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL28522084 0.83 NPC1 (0.49) DYRK1ACYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL30944352 0.82 DYRK1A (0.63) DYRK1AFSCN1CASP3SENP7SENP8
SCHEMBL30944353 0.82 CNR1 (0.70) DYRK1AFSCN1CASP3SENP7SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed