SCHEMBL29978583

SCHEMBL29978583

CNc1ccccc1NC(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
POLB P06746 1/20 0.70
GAA P10253 1/20 0.70
RECQL P46063 1/20 0.70
TSHR P16473 1/20 0.59
CYP2C19 P33261 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL28341354 1.00 MAPT (0.70) MAPTPOLBGAARECQLTSHR
SCHEMBL28880754 0.83 MAPT (0.66) MAPTPOLBGAARECQLTSHR
SCHEMBL29978938 0.80 MAPT (0.46) MAPTPOLBGAARECQLTSHR
SCHEMBL28344388 0.80 MAPT (0.46) MAPTPOLBGAARECQLTSHR
SCHEMBL3819641 0.78 HPGD (0.60) MAPTPOLBGAARECQLKDM4E
SCHEMBL30451351 0.75 RAB9A (0.73) MAPTPOLBGAARECQLCYP2C19
SCHEMBL733872 0.74 CYP2C19 (0.58) MAPTPOLBGAARECQLTSHR
SCHEMBL1307557 0.74 TP53 (0.67) MAPTPOLBGAARECQLTSHR
SCHEMBL1624948 0.74 MAPT (0.55) MAPTPOLBGAARECQLTSHR
SCHEMBL3715383 0.74 HTT (0.51) MAPTPOLBGAARECQLTP53

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-110494431-B Azacyclo derivative, preparation method and medical application thereof 苏州浦合医药科技有限公司 2022-11-04 CN disclosed