SCHEMBL9630688

SCHEMBL9630688

CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CN4CCN(C)CC4)cc2C3=O)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 13/20 0.74
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL4289287 1.00 TERT (0.74) TERTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21085334 0.89 TERT (0.63) TERTALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4293444 0.88 TERT (0.95) TERTALDH1A1MAPTLMNA
SCHEMBL4297878 0.87 TERT (0.75) TERTALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4299285 0.86 TERT (0.76) TERTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4291737 0.84 TERT (0.59) TERTALDH1A1MAPT
SCHEMBL9630438 0.84 ALDH1A1 (0.64) TERTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL9629545 0.81 SMN1; SMN2 (0.65) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL8288400 0.80 LMNA (0.68) ALDH1A1SMN1; SMN2LMNAGAAATM
SCHEMBL31559143 0.79 GAA (0.67) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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-0482119-A1 INTERCALATING AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1992-04-29 EP claimed
WO-1991000265-A1 INTERCALATING AGENTS CANCER RESEARCH TECHNOLOGY LTD. (GB) 1991-01-10 WO claimed