SCHEMBL10070588

SCHEMBL10070588

Nc1cc(Cl)cc(CN2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.40
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
GPR183 P32249 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL10070586 0.76 KMT2A (0.41) ALDH1A1LMNAKMT2ASMN1; SMN2PKM
SCHEMBL626318 0.75 L3MBTL1 (0.53) LMNAKMT2AL3MBTL1ATMFAAH
SCHEMBL30380956 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2POLBHRH3
SCHEMBL17152798 0.74 DRD4 (0.43) ALDH1A1LMNAKMT2AL3MBTL1ATM
SCHEMBL2932454 0.73 L3MBTL1 (0.54) ALDH1A1LMNAKMT2AL3MBTL1ATM
SCHEMBL23213253 0.72 HRH3 (0.51) ALDH1A1LMNAL3MBTL1AKR1C3SMN1; SMN2
SCHEMBL29796217 0.72 HRH3 (0.51) ALDH1A1LMNAL3MBTL1AKR1C3SMN1; SMN2
SCHEMBL10070604 0.69 KMT2A (0.42) ALDH1A1LMNAKMT2AFAAHSMN1; SMN2
SCHEMBL20570029 0.69 ATM (0.47) ALDH1A1LMNAKMT2AL3MBTL1ATM
SCHEMBL8514033 0.69 LMNA (0.57) ALDH1A1LMNAKMT2AATMFAAH

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
WO-2012020221-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed