SCHEMBL28067641

SCHEMBL28067641

O=C(C1N(c2ccccc2)CCN1c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NOTUM Q6P988 1/20 0.43
SLC18A3 Q16572 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4526944 0.87 NOTUM (0.47) MAPTNPSR1SMN1; SMN2NOTUMSLC18A3
SCHEMBL9668731 0.74 MAPT (0.52) MAPTNPSR1SMN1; SMN2SLC18A3MAPK1
SCHEMBL28321864 0.72 FFAR1 (0.46) SMN1; SMN2NOTUMMEN1KMT2AALDH1A1
SCHEMBL28703151 0.72 FFAR1 (0.46) SMN1; SMN2NOTUMMEN1KMT2AALDH1A1
SCHEMBL5702158 0.71 NOTUM (0.49) SMN1; SMN2NOTUMMEN1KMT2AALDH1A1
SCHEMBL5702089 0.71 NOTUM (0.49) SMN1; SMN2NOTUMMEN1KMT2AALDH1A1
SCHEMBL12254378 0.70 MAPK1 (0.49) MAPTNPSR1SMN1; SMN2SLC18A3MAPK1
SCHEMBL28109114 0.70 MAPT (0.52) MAPTNPSR1SMN1; SMN2SLC18A3MAPK1
SCHEMBL23198268 0.70 AGTR2 (0.44) MAPTNPSR1NOTUMMAPK1HTT
SCHEMBL20141927 0.70 AGTR2 (0.44) MAPTNPSR1NOTUMMAPK1HTT

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-103443189-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2016-09-07 CN disclosed