SCHEMBL8800517

SCHEMBL8800517

Cc1ccccc1C(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
SORT1 Q99523 1/20 0.60
HPGD P15428 1/20 0.57
DHODH Q02127 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
TYK2 P29597 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CLCN2 P51788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALPL P05186 1/20 0.50

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
SCHEMBL6807189 0.88 KMT2A (0.76) KMT2AL3MBTL1SORT1DHODHLMNA
SCHEMBL7493834 0.87 KMT2A (0.65) KMT2AL3MBTL1SORT1HPGDDHODH
SCHEMBL16674460 0.85 KMT2A (0.63) KMT2AL3MBTL1HPGDTYK2NPC1
SCHEMBL14398931 0.85 DHODH (0.56) KMT2AL3MBTL1SORT1DHODHLMNA
SCHEMBL3820618 0.83 HTT (0.66) KMT2AL3MBTL1HPGDDHODHGAA
SCHEMBL8604699 0.82 DHODH (0.64) KMT2AL3MBTL1DHODHLMNAGAA
SCHEMBL7553677 0.82 DHODH (0.56) KMT2AL3MBTL1SORT1DHODHGAA
SCHEMBL18640822 0.82 GRM4 (0.58) KMT2AL3MBTL1HPGDDHODHLMNA
SCHEMBL7497000 0.82 DHODH (0.56) KMT2AL3MBTL1DHODHLMNAGAA
SCHEMBL18640842 0.81 KMT2A (0.64) KMT2ADHODHGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed