SCHEMBL8828811

SCHEMBL8828811

CCN1CN(CCCl)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD17B3 P37058 1/20 0.33
USP2 O75604 1/20 0.33
CDK4 P11802 1/20 0.33
ALOX15 P16050 1/20 0.33
CCND1 P24385 1/20 0.33
KDM1A O60341 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.32
BRD4 O60885 2/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL927716 0.85 HSD17B3 (0.40) MEN1KMT2AALDH1A1HSD17B3USP2
SCHEMBL9330383 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1HSD17B3USP2
Iodide SCHEMBL1780078 0.83 HSD17B3 (0.39) MEN1KMT2AALDH1A1HSD17B3USP2
Iodide SCHEMBL2821259 0.83 HSD17B3 (0.39) MEN1KMT2AALDH1A1HSD17B3USP2
Hydrochloric Acid SCHEMBL30935728 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1HSD17B3USP2
Iodide SCHEMBL1780085 0.83 HSD17B3 (0.39) MEN1KMT2AALDH1A1HSD17B3USP2
Bromide SCHEMBL9328394 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1HSD17B3USP2
SCHEMBL29767838 0.82 ALDH1A1 (0.39) MEN1KMT2AALDH1A1L3MBTL1USP2
Bromide SCHEMBL29283498 0.79 CYP1A2 (0.40) MEN1KMT2AALDH1A1L3MBTL1ALOX15
SCHEMBL19411236 0.78 HTR2A (0.46) MEN1KMT2AALDH1A1KDM1A

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-5616583-A GASTROINTESTINAL MOTILITY JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-01 US disclosed