SCHEMBL8345764

SCHEMBL8345764

CCN(CCN)CCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19212991 0.92 CYP2C9 (0.36) CYP2C9CYP2C19CA12CA2CA3
SCHEMBL11745581 0.89 LCK (0.33) CYP2C9
SCHEMBL18912881 0.89 LCK (0.33) CYP2C9
SCHEMBL16908936 0.86 CYP2C9 (0.39) CYP2C9CYP2C19CA12CA2CA3
SCHEMBL8343449 0.86 LCK (0.32) CYP2C9ALDH1A1TSHR
SCHEMBL13436141 0.86 CA12 (0.42) CYP2C9CYP2C19CA12CA2CA3
SCHEMBL19098561 0.86 LCK (0.37) CYP2C9
SCHEMBL7866457 0.86 LCK (0.32) CYP2C9ALDH1A1TSHR
SCHEMBL6441005 0.86 CA12 (0.42) CYP2C9CYP2C19CA12CA2CA3
SCHEMBL8734138 0.86 CA12 (0.47) CYP2C9CA12CA2CA3CA4

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-5914072-A DISPERSANTS FOR SOLIDS; FOR USE IN PAINTS, INKS BASF AKTIENGESELLSCHAFT (DE) 1999-06-22 US disclosed
US-5863879-A POLYMER IS FORMED BY REACTING A POLYMER CONTAINING VINYLAMINE UNIT WITH COMPOUNDS CONTAINING ALDEHYDE OR KETO GROUPS AND OPTIONAL OTHER AMINE OR ALOCHOL CONTAINING COMPOUNDS SUCH AS AMINAL, HEMIAMINAL OR AMINAL ACETATE BASF AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
EP-0756618-B1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AG (DE) 1998-08-12 EP disclosed
EP-0759440-A2 Phosphoric acid esters BASF AKTIENGESELLSCHAFT (DE) 1997-02-26 EP disclosed
EP-0756618-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-02-05 EP disclosed
WO-1995029221-A1 DYE-TRANSFER INHIBITORS FOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed