SCHEMBL13625846

SCHEMBL13625846

IN1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 1/20 0.53
NOTUM Q6P988 2/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
DRD2 P14416 9/20 0.52
DRD4 P21917 9/20 0.52
DRD3 P35462 9/20 0.52
IL4I1 Q96RQ9 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL4307364 0.86 NOTUM (0.56) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8577214 0.84 DRD2 (0.56) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL12420831 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL4271450 0.81 DRD2 (0.73) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL7650321 0.80 PRMT5 (0.53) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL13616467 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL1316671 0.79 NOTUM (0.55) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL1316937 0.79 NOTUM (0.55) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL12112325 0.78 IL4I1 (0.52) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2
SCHEMBL8229282 0.76 DRD2 (0.49) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed