SCHEMBL6474344

SCHEMBL6474344

CCCCB(CCCC)CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 1/20 0.50
ANPEP P15144 1/20 0.41
GABBR2 O75899 1/20 0.36
GABRR1 P24046 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL21484542 0.94 DNM1 (0.50) DNM1TSHRMEN1KMT2AALDH1A1
Ethylenediamine SCHEMBL6550584 0.91 DNM1 (0.45) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3792213 0.88 DNM1 (0.43) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL10899969 0.84 ANPEP (0.53) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL1237 0.84 ANPEP (0.53) DNM1TSHRMEN1KMT2AALDH1A1
Cysteamine SCHEMBL2119301 0.83 TSHR (0.42) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL1908019 0.81 DNM1 (0.39) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL22664549 0.81 DNM1 (0.46) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3887127 0.81 ANPEP (0.50) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL952691 0.81 ANPEP (0.50) DNM1TSHRMEN1KMT2AALDH1A1

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
WO-2005000911-A2 INTERNALLY COORDINATED ORGANOBORANES LORD CORPORATION (US) 2005-01-06 WO disclosed
US-20040242817-A1 Internally coordinated organoboranes LORD CORPORATION 2004-12-02 US disclosed