SCHEMBL4948906

SCHEMBL4948906

CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
MAPT P10636 8/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48
AR P10275 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45

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
SCHEMBL16733406 0.88 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6001705 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29951458 0.83 ALOX15 (0.58) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL830378 0.82 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2351650 0.82 GABRA1 (0.60) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4893031 0.81 MAPT (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL830073 0.81 KDM4E (0.54) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1259124 0.81 KDM4E (0.61) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL21243737 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL21264516 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed