SCHEMBL6744408

SCHEMBL6744408

[CH2]Cc1c(C)nn(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.35
NR2F2 P24468 2/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
MPO P05164 1/20 0.33
TTR P02766 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL6760580 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL5898273 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL5898267 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL7993567 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL762264 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL12844283 0.74 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
Hydrochloric Acid SCHEMBL14696281 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
Hydrochloric Acid SCHEMBL5010811 0.74 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL23978357 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A
SCHEMBL12926028 0.73 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ELMNARAB9A

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
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed