SCHEMBL8568328

SCHEMBL8568328

Cc1cccc2ccc(OCc3nc(-c4ccccc4)no3)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
CASP3 P42574 2/20 0.66
SENP8 Q96LD8 2/20 0.66
SENP7 Q9BQF6 2/20 0.66
SENP6 Q9GZR1 2/20 0.66
MAPT P10636 10/20 0.62
TSHR P16473 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MAPK1 P28482 5/20 0.62
TDP1 Q9NUW8 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
GSTP1 P09211 3/20 0.59
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
POLB P06746 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
FFAR1 O14842 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL7808550 0.80 HTR1A (0.60) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1387863 0.80 RAB9A (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8572548 0.79 SLC6A9 (0.56) RAB9ANPC1MAPTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1387847 0.79 SLC6A9 (0.58) RAB9ANPC1CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1387849 0.79 SLC6A9 (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL8191218 0.77 SLC6A9 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7816334 0.77 KMT2A (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL654892 0.75 RAB9A (0.81) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL14597978 0.74 RAB9A (0.78) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7816012 0.73 SLC6A9 (0.60) RAB9ANPC1MAPTTSHRSMN1; SMN2

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
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed