SCHEMBL29453067

SCHEMBL29453067

Oc1ccccc1-c1cc2[nH]cncc-2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.65
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALOX15 P16050 5/20 0.43
HPGD P15428 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX12 P18054 2/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL1948725 0.79 IDO1 (1.00) IDO1CYP11B1CYP11B2CYP3A4
SCHEMBL29620841 0.77 IDO1 (0.54) IDO1MAPTSMN1; SMN2ALOX15MEN1
SCHEMBL1438848 0.77 IDO1 (0.58) IDO1HPGDMEN1KMT2AHSD17B10
SCHEMBL14198211 0.69 MAPT (0.51) IDO1MAPTSMN1; SMN2ALOX15HPGD
SCHEMBL28029281 0.68 SMN1; SMN2 (0.61) IDO1MAPTSMN1; SMN2ALOX15HPGD
SCHEMBL6907528 0.67 IDO1 (0.50) IDO1MAPTSMN1; SMN2HPGDMEN1
SCHEMBL17376580 0.66 ASIC3 (0.44) IDO1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17938574 0.66 MEN1 (0.78) MAPTSMN1; SMN2ALOX15HPGDNFKB1
SCHEMBL12543941 0.66 IDO1 (0.74) IDO1MAPTSMN1; SMN2HPGDCYP11B1
SCHEMBL4051570 0.66 CA2 (0.48) MAPTCYP11B1CYP11B2NPSR1

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
EP-4204020-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS Advanced Accelerator Applications International S.A. (CH) 2023-07-05 EP disclosed
WO-2022043558-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2022-03-03 WO disclosed