SCHEMBL6862009

SCHEMBL6862009

c1ccc(CC2CCCN3CCCN=C23)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CCR3 P51677 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC18A3 Q16572 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL6853571 0.95 HSD11B1 (0.43) HSD11B1CCR3TSHRMEN1KMT2A
SCHEMBL6860623 0.94 HSD11B1 (0.43) HSD11B1CCR3TSHRMEN1KMT2A
SCHEMBL21365310 0.78 NOS1 (0.35)
SCHEMBL809744 0.72 CTSL (0.40) CARM1PRMT6
SCHEMBL14697112 0.68 HSD11B1 (0.41) HSD11B1TSHR
SCHEMBL14697113 0.68 HSD11B1 (0.41) HSD11B1TSHR
SCHEMBL810036 0.67 NOS1 (0.35) TSHRMEN1KMT2A
SCHEMBL17328037 0.67 NOS3 (0.36)
SCHEMBL8174246 0.67 MEN1 (0.39) HSD11B1TSHRMEN1KMT2A
SCHEMBL809801 0.66 STAT3 (0.38) TSHRCARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794530-B1 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-0934925-B1 Process for the preparation of beta-alkoxy nitriles BASF AG (DE) 2002-09-25 EP disclosed
EP-0999206-B1 Process for producing alpha cyano acetic acid esters BASF AG (DE) 2002-09-18 EP disclosed
US-6130347-A REACTING MONOCHLOROACETIC ESTER WITH HYDROGEN CYANIDE IN BASE PRESENCE; CYANATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0999206-A1 Process for producing alpha cyano acetic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0934925-A1 Process for the preparation of beta-alkoxy nitriles BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed