SCHEMBL27975845

SCHEMBL27975845

NCc1ccc(-c2sc(C=O)c(-c3ccc([N+](=O)[O-])cc3)c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
APP P05067 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL27975857 0.86 MAPT (0.52) APPMGAMGAASIMGAM2
SCHEMBL28036417 0.85 ACHE (0.46) APPMGAMGAASIMGAM2
SCHEMBL27975865 0.83 TAAR1 (0.46) LOXL2GAAMAPTALDH1A1MEN1
SCHEMBL28036418 0.76 MAPT (0.39) APPMGAMGAASIMGAM2
SCHEMBL354332 0.72 LOXL2 (1.00) LOXL2CA12CA1CA2CA9
SCHEMBL27975859 0.71 ALDH1A1 (0.37) GAAMAPTALDH1A1MEN1HTT
SCHEMBL4687550 0.70 LOXL2 (0.88) LOXL2CA12CA1CA2CA9
Methane SCHEMBL11552193 0.70 LOXL2 (0.95) LOXL2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL726 0.70 LOXL2 (0.95) LOXL2CA12CA1CA2CA9
Bromide SCHEMBL31513716 0.70 LOXL2 (0.95) LOXL2CA12CA1CA2CA9

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-103980248-B 3,5-bis-substituted-4-amino thiophene-2-formaldehyde compound and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2015-11-18 CN disclosed
CN-103980248-A 3,5-bisubstituted-4-aminothiophene-2-formaldehyde compound and preparation method thereof UNIV ZHEJIANG 2014-08-13 CN disclosed