SCHEMBL5492192

SCHEMBL5492192

CNCCN(C)c1c2nc3ccccc3c-2n(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAD52 P43351 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ATM Q13315 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TOP2A P11388 2/20 0.34
MAPT P10636 3/20 0.34
MOK Q9UQ07 1/20 0.34
NCF1 P14598 2/20 0.34

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
SCHEMBL3290733 0.74 POLB (0.51) TERTNPC1RAB9AKMT2APOLB
SCHEMBL9697536 0.72 SMN1; SMN2 (0.44) NPC1RAB9AKMT2AATMMEN1
Biscryptolepine SCHEMBL30192568 0.71 TERT (0.54) TERTNPC1RAB9AKMT2APOLB
SCHEMBL21361394 0.70 PRMT1 (0.41) KMT2AATMMEN1KDM4EALDH1A1
SCHEMBL3298450 0.70 KAT2B (0.44) TERTNPC1RAB9AKMT2APOLB
SCHEMBL3291144 0.70 TERT (0.53) TERTKMT2APOLBMEN1KDM4E
SCHEMBL3291028 0.68 TERT (0.51) TERTNPC1RAB9AKMT2APOLB
SCHEMBL8480481 0.68 TERT (0.51) TERTNPC1RAB9AKMT2APOLB
SCHEMBL3292083 0.68 RAD52 (0.47) TERTNPC1RAB9AKMT2APOLB
Hydrochloric Acid SCHEMBL8485102 0.67 TERT (0.50) TERTNPC1RAB9AKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511573-A 2007-05-10 JP claimed
EP-1687304-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER Crystax Pharmaceuticals S.L. (ES) 2006-08-09 EP claimed
WO-2005054236-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS S.L. (ES) 2005-06-16 WO claimed
EP-1687304-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER Crystax Pharmaceuticals S.L. (ES) 2006-08-09 EP disclosed
WO-2005054236-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS S.L. (ES) 2005-06-16 WO disclosed