SCHEMBL30733352

SCHEMBL30733352

CC1CCCCN1CCNC(=S)Nc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LTC4S Q16873 1/20 0.49
KDM4E B2RXH2 2/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CXCR4 P61073 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7097156 0.82 ALDH1A1 (0.58) ALDH1A1LTC4STSHRNPC1RAB9A
SCHEMBL6229768 0.81 ALDH1A1 (0.57) ALDH1A1LTC4SKDM4ETSHRSMN1; SMN2
SCHEMBL6805540 0.75 ALDH1A1 (0.45) ALDH1A1LTC4STSHRSMN1; SMN2NPC1
SCHEMBL13885949 0.72 ALDH1A1 (0.68) ALDH1A1LTC4STSHRSMN1; SMN2NPC1
SCHEMBL6953144 0.71 ALDH1A1 (0.62) ALDH1A1LTC4SKDM4ESMN1; SMN2NPC1
SCHEMBL6907332 0.70 ALDH1A1 (0.52) ALDH1A1LTC4SSMN1; SMN2NPC1RAB9A
SCHEMBL7224530 0.69 LTC4S (0.87) ALDH1A1LTC4SKDM4ETSHRSMN1; SMN2
SCHEMBL7220245 0.68 LTC4S (0.79) ALDH1A1LTC4SKDM4ETSHRSMN1; SMN2
SCHEMBL7579004 0.68 ALDH1A1 (0.49) ALDH1A1LTC4STSHRSMN1; SMN2NPC1
SCHEMBL7624466 0.67 ALDH1A1 (1.00) ALDH1A1LTC4SKDM4ESMN1; SMN2NPC1

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
EP-4361273-A1 ANTI-CTLA-4 ANTIBODY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-01 EP disclosed
US-20240043515-A1 HETERODIMER FC POLYPEPTIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-08 US disclosed
US-20230416371-A1 HETERODIMER FC POLYPEPTIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-12-28 US disclosed