SCHEMBL18281237

SCHEMBL18281237

S=C1NCCc2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.50
F7 P08709 1/20 0.50
PARP1 P09874 1/20 0.50
F3 P13726 1/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.48
PNMT P11086 1/20 0.46
PARP11 Q9NR21 3/20 0.45
ALOX12 P18054 2/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRD5A1 P18405 2/20 0.41
SRD5A2 P31213 1/20 0.41
CYP19A1 P11511 5/20 0.41
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41

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
SCHEMBL9334833 0.85 PARP10 (0.64) PARP10F7PARP1F3HTR2A
SCHEMBL2616889 0.78 PARP10 (0.64) PARP10PARP1HTR2AHTR2CHTR2B
SCHEMBL1315035 0.78 PARP10 (0.74) PARP10F7PARP1F3PARP11
SCHEMBL3369697 0.74 HTT (0.55) PARP10F7PARP1F3HTR2A
SCHEMBL15282381 0.73 SRD5A1 (0.64) PARP10F7PARP1F3HTR2A
SCHEMBL154428 0.72 DRD4 (0.64) PARP10F7PARP1F3HTR2A
SCHEMBL88901 0.72 PARP1 (0.59) PARP10PARP1HTR2CPNMTPARP11
Bromide SCHEMBL949153 0.71 DRD4 (0.62) PARP10F7PARP1F3HTR2A
Hydrochloric Acid SCHEMBL8645796 0.71 F7 (0.55) PARP10F7PARP1F3HTR2A
Hydrochloric Acid SCHEMBL5767968 0.68 HTR2C (0.96) PARP10F7PARP1F3HTR2A

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
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed