SCHEMBL9152022

SCHEMBL9152022

O=C(c1ccc([N+](=O)[O-])cc1)N1CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.77
CA1 P00915 1/20 0.77
CA2 P00918 1/20 0.77
CA7 P43166 1/20 0.77
CA9 Q16790 1/20 0.77
CA14 Q9ULX7 1/20 0.77
ALDH1A1 P00352 5/20 0.70
KMT2A Q03164 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MEN1 O00255 2/20 0.69
POLB P06746 1/20 0.69
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
HPGD P15428 2/20 0.63
HSD11B1 P28845 1/20 0.62
MGLL Q99685 1/20 0.62
HTT P42858 1/20 0.61
PKM P14618 2/20 0.60
KDM4E B2RXH2 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL27971693 0.95 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL142197 0.93 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1877246 0.93 KMT2A (0.80) CA12CA1CA2CA7CA9
SCHEMBL4724436 0.93 KMT2A (0.75) CA12CA1CA2CA7CA9
SCHEMBL19313021 0.92 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL110101 0.92 ALDH1A1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL4002999 0.92 ALDH1A1 (0.75) CA12CA1CA2CA7CA9
SCHEMBL1590712 0.91 KMT2A (0.83) CA12CA1CA2CA7CA9
SCHEMBL16026508 0.90 ALDH1A1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL28866336 0.90 CA12 (0.64) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402312-B1 P-substituted propane-phosphinic acid compounds CIBA GEIGY AG (CH) 1995-01-25 EP disclosed
US-5190934-A Treatment of cognitive and memory disorders CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
EP-0402312-A2 P-substituted propane-phosphinic acid compounds CIBA-GEIGY AG (CH) 1990-12-12 EP disclosed
US-4407939-A GELATIN MODIFIED WITH SUCCINIC, PHTHALIC OR TRIMELLITIC ANHYDRIDE POSITIONED BETWEEN FUJI PHOTO FILM CO., LTD. (JP) 1983-10-04 US disclosed
US-4021245-A GELATION DERIVATIVE, SILICIC ACID ANHYDRIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US disclosed