SCHEMBL8041935

SCHEMBL8041935

CC(=O)N(CCCl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PAX8 Q06710 2/20 0.49
JAK2 O60674 1/20 0.49
TP53 P04637 3/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL10099720 0.88 MEN1 (0.62) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL11064078 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL10736465 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL2069635 0.82 TP53 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL6629576 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL17333385 0.81 TP53 (0.59) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL11704247 0.81 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL18457436 0.81 MEN1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL8329334 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL10460057 0.81 ADRA2C (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR

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
EP-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed