SCHEMBL27412409

SCHEMBL27412409

CCCNN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.59
MAPT P10636 9/20 0.55
ALDH1A1 P00352 7/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ADRB1 P08588 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4248037 0.88 SIRT6 (0.62) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL15271381 0.79 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL6151230 0.79 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL1045292 0.78 SIRT6 (0.69) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL8828657 0.77 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL27409046 0.77 DRD2 (0.42) MAPTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL374222 0.77 SIRT6 (0.68) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL27413682 0.77 DRD2 (0.56) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL6945690 0.75 SIRT6 (0.65) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL4822106 0.75 SIRT6 (0.60) SIRT6MAPTALDH1A1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1074766-C Alkylaminobenzothiazole and -benzoxazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2001-11-14 CN disclosed
CN-1218461-A Alkylaminobenzothiazole and -benzoxazole derivatives JANSSEN PHARMACEUTICA NV (NL) 1999-06-02 CN disclosed