SCHEMBL28664477

SCHEMBL28664477

O=[N+]([O-])c1ccc(CCl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
POLB P06746 1/20 0.48
PDE7A Q13946 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
RORC P51449 1/20 0.41
AR P10275 3/20 0.40

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
SCHEMBL14021283 0.85 ALDH1A1 (0.50) ALDH1A1POLBPDE7ATSHRMEN1
SCHEMBL2015323 0.85 ALDH1A1 (0.57) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL588926 0.83 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL19205982 0.83 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL29618194 0.83 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL27778093 0.81 ALDH1A1 (0.47) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL13262099 0.81 ALDH1A1 (0.57) ALDH1A1POLBPDE7ATSHRMEN1
SCHEMBL27651645 0.81 ALDH1A1 (0.47) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL20214351 0.81 ALDH1A1 (0.47) ALDH1A1POLBPDE7AMEN1KMT2A
SCHEMBL23091897 0.80 ALDH1A1 (0.46) ALDH1A1POLBPDE7AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113851266-B Cross-linked polyethylene insulation halogen-free low-smoke flame-retardant B1-level power cable 安徽中通电缆科技有限公司 2023-08-01 CN claimed
CN-113851266-A Cross-linked polyethylene insulation halogen-free low-smoke flame-retardant B1-grade power cable 安徽中通电缆科技有限公司 2021-12-28 CN claimed
CN-113851266-B Cross-linked polyethylene insulation halogen-free low-smoke flame-retardant B1-level power cable 安徽中通电缆科技有限公司 2023-08-01 CN disclosed
CN-113851266-A Cross-linked polyethylene insulation halogen-free low-smoke flame-retardant B1-grade power cable 安徽中通电缆科技有限公司 2021-12-28 CN disclosed
CN-106588673-A Preparation method of 2-methyl-5-aminotrifluorotoluene 金凯(辽宁)化工有限公司 2017-04-26 CN disclosed