SCHEMBL28165474

SCHEMBL28165474

C[C](C)CN(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 5/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.46
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL27876304 0.82 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL3159374 0.78 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL11819373 0.77 TSHR (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL3412211 0.76 ALDH1A1 (0.52) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9379534 0.74 TSHR (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6802849 0.74 ALDH1A1 (0.49) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30780918 0.73 TSHR (0.61) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1413129 0.73 TSHR (0.61) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL7195191 0.73 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2017690 0.73 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMEN1KMT2A

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
CN-107011342-A The preparation based on carboline and carbazole for detecting neurological dysfunction 伊莱利利公司 2017-08-04 CN disclosed