SCHEMBL31267142

SCHEMBL31267142

CC1c2ccccc2NC(C)(C)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
HTR5A P47898 10/20 0.37
CREBBP Q92793 2/20 0.33
BRPF1 P55201 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAD52 P43351 1/20 0.31
BRD4 O60885 2/20 0.31

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
SCHEMBL2257038 1.00 PGR (0.38) PGRARHTR5ACREBBPBRPF1
SCHEMBL28616194 0.76 HTR5A (0.37) HTR5ACREBBPBRPF1ALDH1A1MAPT
SCHEMBL23376738 0.68 ALDH1A1 (0.36) PGRHTR5AALDH1A1MAPTCYP3A4
SCHEMBL11137818 0.67 KDM4E (0.41) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL13431346 0.67 PGR (0.38) PGRARHTR5A
SCHEMBL6221516 0.67 PDK2 (0.46) HTR5ACREBBPBRPF1ALDH1A1MAPT
SCHEMBL18831876 0.67 ALDH1A1 (0.55) PGRARHTR5AALDH1A1MAPT
SCHEMBL23183440 0.67 ALDH1A1 (0.55) PGRARHTR5AALDH1A1MAPT
SCHEMBL592819 0.67 ALDH1A1 (0.55) PGRARHTR5AALDH1A1MAPT
SCHEMBL5138708 0.65 NR3C1 (0.42) PGRARHTR5ACREBBPBRPF1

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-119343413-A HALS as antimicrobial additive in radical systems 阿科玛法国公司 2025-01-21 CN disclosed