SCHEMBL9470708

SCHEMBL9470708

O=C(O)c1cc([N+](=O)[O-])cc2c1NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ADRA2A P08913 1/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
CTSV O60911 1/20 0.38
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9177580 0.91 MAPT (0.41) MAPTADRA2APNMTALDH1A1HSP90AA1
SCHEMBL9471345 0.90 MAPT (0.40) MAPTADRA2APNMTALDH1A1HSP90AA1
SCHEMBL3899701 0.78 CTSL (0.49) MAPTADRA2APNMTALDH1A1MAPK1
SCHEMBL3925257 0.76 HTR1D (0.44) MAPTADRA2APNMTALDH1A1MAPK1
SCHEMBL3506059 0.76 ALDH1A1 (0.48) MAPTADRA2APNMTALDH1A1MAPK1
SCHEMBL10180113 0.76 ADRA2A (0.44) MAPTADRA2APNMTALDH1A1TDP1
SCHEMBL14159974 0.76 LMNA (0.46) MAPTADRA2APNMTALDH1A1MAPK1
SCHEMBL3920383 0.76 ALDH1A1 (0.50) MAPTADRA2APNMTALDH1A1HSP90AA1
SCHEMBL9173956 0.75 KMT2A (0.41) MAPTALDH1A1MAPK1SMN1; SMN2CYP3A4
SCHEMBL9471242 0.74 AKR1C3 (0.42) MAPTPNMTALDH1A1TDP1KMT2A

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
US-5242912-A Treatment of autoimmune and rheumatic diseases and osteoporosis KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
EP-0434844-A1 NEW CYCLIC ANTHRANILIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-07-03 EP disclosed