SCHEMBL28866513

SCHEMBL28866513

NOC(=O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PARP10 Q53GL7 1/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
PTPRA P18433 1/20 0.46
HRH1 P35367 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
POLB P06746 1/20 0.45
IDO1 P14902 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL375765 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PARP10CYP1A2
Methyl Alcohol SCHEMBL3396777 0.83 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2PARP10CYP1A2
SCHEMBL14640301 0.82 HRH1 (0.52) SMN1; SMN2PARP10CYP1A2ALDH1A1TSHR
SCHEMBL78000 0.81 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL6013805 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PARP10CYP1A2
SCHEMBL29390571 0.81 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7500894 0.80 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Water SCHEMBL7798110 0.80 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL15662173 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PARP10CYP1A2
SCHEMBL11561793 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2PARP10CYP1A2

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
CN-109069481-A Methods and compounds for restoring function of mutant p53 皮姆维制药公司 2018-12-21 CN disclosed