SCHEMBL11772489

SCHEMBL11772489

Cc1nn(C)c2nc3ccccc3c(NCCCO)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.59
RAD52 P43351 4/20 0.59
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 4/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 3/20 0.48
MITF O75030 2/20 0.48
TTR P02766 1/20 0.48
TERT O14746 1/20 0.47
TSHR P16473 1/20 0.46
SLC2A1 P11166 7/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45

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
Hydrochloric Acid SCHEMBL11768617 0.99 POLB (0.58) POLBRAD52KDM4EALDH1A1GAA
SCHEMBL11770423 0.88 RAD52 (0.63) POLBRAD52ALDH1A1RAB9ATERT
SCHEMBL29628876 0.88 RAD52 (0.63) POLBRAD52ALDH1A1RAB9ATERT
SCHEMBL11770198 0.88 SLC2A1 (0.43) POLBRAD52KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL10942278 0.87 RAD52 (0.62) POLBRAD52ALDH1A1RAB9ATERT
Hydrochloric Acid SCHEMBL11772379 0.87 SLC2A1 (0.45) POLBRAD52KDM4EGAARAB9A
Hydrochloric Acid SCHEMBL11774095 0.87 SLC2A1 (0.45) SLC2A1
Hydrochloric Acid SCHEMBL11767117 0.87 SLC2A1 (0.45) POLBRAD52KDM4EGAARAB9A
Hydrochloric Acid SCHEMBL11766221 0.84 SLC2A1 (0.42) POLBRAD52KDM4EGAARAB9A
Hydrochloric Acid SCHEMBL11769959 0.84 RAD52 (0.57) POLBRAD52ALDH1A1RAB9ATERT

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-4013665-A ANTIVIRAL, SUBSTITUTED 1,3-DIMETHYL-1H-PYRAZOLO(3,4B)QUINOLINES BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed