SCHEMBL6815366

SCHEMBL6815366

Cc1c[nH]c(-c2cccc(-c3nc(C)c[nH]3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
CCR8 P51685 2/20 0.44
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
METAP2 P50579 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL28856145 0.92 CCR1 (0.58) CCR1CCR8METAP2POLBCYP2A6
SCHEMBL22051478 0.88 CCR1 (0.39) CCR1CCR8TUBB4ATUBBTUBA3C
SCHEMBL20390730 0.87 NOS3 (0.48) CCR1CCR8METAP2MEN1KMT2A
SCHEMBL23340951 0.87 JAK2 (0.38) CCR1CCR8METAP2MEN1KMT2A
SCHEMBL3327100 0.80 KDM4E (0.49) CCR1CCR8METAP2KMT2ARAB9A
SCHEMBL27985279 0.75 MAPK1 (0.40) RAB9AGAATP53MAPK1SMN1; SMN2
SCHEMBL310731 0.74 CCR1 (0.50) CCR1CCR8TUBB4ATUBBTUBA3C
SCHEMBL49612 0.74 GAA (0.52) MEN1KMT2ARAB9AGAAPOLB
Hydrochloric Acid SCHEMBL4345831 0.72 HPGD (0.38) MEN1KMT2ARAB9AGAAPOLB
Phosphine SCHEMBL28142196 0.72 GAA (0.50) MEN1KMT2ARAB9AGAAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119637-B8 SMALL VOLUME IN VITRO ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR THERASENSE INC (US) 2004-07-28 EP disclosed
EP-1119637-A1 SMALL VOLUME $i(IN VITRO) ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR Therasense, Inc. (US) 2001-08-01 EP disclosed
WO-2000020626-A1 SMALL VOLUME IN VITRO ANALYTE SENSOR WITH DIFFUSIBLE OR NON-LEACHABLE REDOX MEDIATOR THERASENSE, INC. (US) 2000-04-13 WO disclosed