SCHEMBL8218702

SCHEMBL8218702

CCn1ncc(C(=O)c2ccc3c(c2C)C(NC)CC(CN)S3(=O)=O)c1O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
Methylamine SCHEMBL8138101 0.82 RAB9A (0.32) RAB9ASMN1; SMN2LMNA
SCHEMBL8132414 0.81 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2LMNA
SCHEMBL8940874 0.75 RAB9A (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL8121496 0.72 SMN1; SMN2 (0.32) RAB9ASMN1; SMN2LMNA
SCHEMBL8131597 0.72 LMNA (0.34) RAB9ASMN1; SMN2LMNA
SCHEMBL8120654 0.72 RAB9A (0.34) RAB9ASMN1; SMN2LMNA
SCHEMBL6983233 0.70 LMNA (0.35) RAB9ASMN1; SMN2LMNA
SCHEMBL8303808 0.70 RAB9A (0.31) RAB9ASMN1; SMN2LMNA
SCHEMBL8134206 0.70 RAB9A (0.33) RAB9ASMN1; SMN2LMNA
SCHEMBL8129289 0.70 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2LMNA

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-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed