SCHEMBL28154591

SCHEMBL28154591

COc1cc(OC)c(-c2csc(Nc3cnccn3)n2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
TRPV4 Q9HBA0 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47

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
SCHEMBL28155597 0.86 CSNK2A1 (0.58) RAB9ANPC1TRPV4TUBB4ATUBB
SCHEMBL28845877 0.81 RAB9A (0.56) RAB9ANPC1TUBB4ATUBBTUBA3C
SCHEMBL28155536 0.81 RAB9A (0.72) RAB9ANPC1TUBB4ATUBBTUBA3C
SCHEMBL14758376 0.80 MEN1 (0.73) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7905433 0.76 MEN1 (0.54) RAB9ANPC1TUBB4ATUBBTUBA3C
SCHEMBL28155497 0.75 RAB9A (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL28002973 0.75 RAB9A (0.54) RAB9ANPC1TRPV4TUBB4ATUBB
SCHEMBL28154619 0.75 RAB9A (0.42) RAB9ANPC1TRPV4MEN1KMT2A
SCHEMBL28154725 0.74 NPC1 (0.47) RAB9ANPC1TRPV4MEN1KMT2A
SCHEMBL28154618 0.74 NPC1 (0.41) RAB9ANPC1TRPV4MEN1KMT2A

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-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed