SCHEMBL6315152

SCHEMBL6315152

COC(=O)CCc1ccc(Nc2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
SIRT2 Q8IXJ6 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
CDC25B P30305 3/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6314923 0.93 CYP1A2 (0.58) CYP1A2CYP2C19SIRT2RAB9AALDH1A1
SCHEMBL27580499 0.88 RAB9A (0.50) CYP1A2CYP2C19RAB9AALDH1A1POLB
SCHEMBL15079681 0.88 SIRT2 (0.47) CYP1A2CYP2C19SIRT2ALDH1A1POLB
SCHEMBL14048607 0.80 RAB9A (0.58) CYP1A2CYP2C19RAB9AALDH1A1POLB
SCHEMBL7389628 0.77 SIRT2 (0.54) CYP1A2CYP2C19SIRT2RAB9AALDH1A1
SCHEMBL15056195 0.76 SIRT2 (0.59) SIRT2ALOX15KDM4EMEN1KMT2A
SCHEMBL2776004 0.76 TDP1 (0.51) SIRT2RAB9AALDH1A1POLBHPGD
SCHEMBL14717782 0.76 EPHX2 (0.56) SIRT2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL6308956 0.75 SIRT2 (0.49) SIRT2MEN1KMT2AGAA
SCHEMBL6308743 0.75 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100334128-C Charge transfer polymer FUJI XERON CO LTD (JP) 2007-08-29 CN disclosed
US-6936679-B2 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2005-08-30 US disclosed
US-20030207187-A1 Charge-transporting polymer FUJI XEROX CO., LTD. (JP) 2003-11-06 US disclosed
CN-1445258-A Charge transfer polymer FUJI XERON CO LTD (JP) 2003-10-01 CN disclosed