SCHEMBL6572083

SCHEMBL6572083

O=C1CCC(=NN(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 1/20 0.45
LRRK2 Q5S007 8/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2A6 P11509 1/20 0.33
PARL Q9H300 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
RUNX1 Q01196 1/20 0.31
ATM Q13315 1/20 0.31
CBFB Q13951 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
CFTR P13569 1/20 0.30
GOPC Q9HD26 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
SCHEMBL15439212 0.77 APP (0.31) ALDH1A1ALOX15MEN1KMT2ACYP2C9
SCHEMBL12105329 0.73 ALDH1A1 (0.41) ALDH1A1ALOX15LRRK2MEN1KMT2A
SCHEMBL8493516 0.73 CYP2A6 (0.39) ALDH1A1ALOX15LRRK2MEN1KMT2A
SCHEMBL15439235 0.72 G6PC1 (0.46) ALDH1A1
SCHEMBL15438966 0.69 TSHR (0.42) ALDH1A1KMT2A
SCHEMBL4268217 0.69 TRIM24 (0.32) ALDH1A1
SCHEMBL14799630 0.64 ALDH1A1 (0.31) ALDH1A1ALOX15MEN1KMT2AHTT
SCHEMBL14506042 0.64 GAA (0.47) ALDH1A1MEN1KMT2AHSP90AA1HPGD
Benzene SCHEMBL28737241 0.63 TRIM24 (0.54) ALDH1A1MEN1KMT2ACYP2C9CYP2A6
SCHEMBL80329 0.63 ALDH1A1 (1.00) ALDH1A1ALOX15LRRK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908787-B1 Indolocarbazole Photoconductors XEROX CORP (US) 2004-04-14 EP disclosed
EP-0908787-A2 Indolocarbazole Photoconductors Xerox Corporation (US) 1999-04-14 EP disclosed
US-5843607-A Indolocarbazole photoconductors XEROX CORPORATION (US) 1998-12-01 US disclosed