SCHEMBL4841341

SCHEMBL4841341

COc1cc2cc[nH]c2cc1C1C=CNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 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
SCHEMBL6674240 0.81 TYR (0.40) MEN1KMT2APOLBMAPK1MAPT
SCHEMBL6265635 0.75 CYP2A6 (0.30)
SCHEMBL4840001 0.74 AHR (0.40) MEN1KMT2APOLBMAPK1APP
SCHEMBL9207455 0.72 HTR2C (0.57) MEN1KMT2AMAPTHTR2CSLC6A2
Hydrochloric Acid SCHEMBL9208100 0.71 HTR2C (0.58) MEN1KMT2AMAPTHTR2CSLC6A2
SCHEMBL1748737 0.70 TLR8 (0.60) TLR8TLR7MEN1KMT2APOLB
SCHEMBL4841333 0.68 TLR8 (0.43) TLR8TLR7MEN1KMT2APOLB
SCHEMBL8355329 0.68 TLR8 (0.54) TLR8TLR7MEN1KMT2APOLB
SCHEMBL29738151 0.68 TLR8 (0.54) TLR8TLR7MEN1KMT2APOLB
SCHEMBL187054 0.66 TLR8 (0.55) TLR8TLR7MEN1KMT2APOLB

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
EP-1902044-A1 5-HTX MODULATORS Bio Medisinsk Innovasjon AS (NO) 2008-03-26 EP disclosed
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed