SCHEMBL3383287

SCHEMBL3383287

c1ccc(CN2CCNCCNCC2)nc1

nearest known ligand 0.93

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
CXCR4 P61073 7/20 0.59
KDM4E B2RXH2 3/20 0.54
SIGMAR1 Q99720 2/20 0.53
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC6A4 P31645 1/20 0.52
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
PLD1 Q13393 1/20 0.50

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
Piperazine SCHEMBL28106509 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL3387061 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL29250334 0.98 ALDH1A1 (0.58) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL17485679 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL209471 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL4903097 0.98 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL30163937 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL27587923 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
SCHEMBL3432550 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2
Hydrochloric Acid SCHEMBL1899181 0.97 ALDH1A1 (0.60) ALDH1A1L3MBTL1ALOX15TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709533-B Oxidation process 卡特克塞尔科技有限公司 2020-09-18 CN claimed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP claimed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO claimed
CN-107709533-B Oxidation process 卡特克塞尔科技有限公司 2020-09-18 CN disclosed
WO-2010006861-A1 A PROCESS FOR TREATING STAINS ON FABRIC UNILEVER PLC (GB) 2010-01-21 WO disclosed
EP-0906402-A1 BLEACH ACTIVATION UNILEVER N.V. (NL) 1999-04-07 EP disclosed
WO-1997048787-A1 BLEACH ACTIVATION UNILEVER N.V. (NL) 1997-12-24 WO disclosed