SCHEMBL8460980

SCHEMBL8460980

CCc1ccccc1N(Cn1cccn1)C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.40
THRB P10828 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NR1I2 O75469 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 2/20 0.37
JAK2 O60674 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9367287 0.87 TP53 (0.56) TP53ALDH1A1LMNATHRBTDP1
SCHEMBL10753074 0.85 ALDH1A1 (0.41) TP53ALDH1A1TDP1NR1I2CYP3A4
SCHEMBL8433228 0.83 TP53 (0.59) TP53ALDH1A1LMNATHRBTDP1
SCHEMBL10344940 0.82 TSHR (0.39) LMNATHRBMEN1KMT2ATSHR
SCHEMBL10900110 0.81 TSHR (0.38) LMNATHRBMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL10900071 0.81 TSHR (0.38) LMNATHRBMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL10896165 0.80 TSHR (0.37) LMNATHRBMEN1KMT2ATSHR
Metazachlor SCHEMBL4896537 0.79 TP53 (0.48) TP53ALDH1A1THRBTDP1NR1I2
Metazachlor SCHEMBL55016 0.79 TP53 (0.48) TP53ALDH1A1THRBTDP1NR1I2
SCHEMBL8530433 0.79 TP53 (0.44) TP53ALDH1A1LMNATHRBTDP1

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
US-5990044-A Selective herbicides based on aryl uracils BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US claimed