SCHEMBL14219626

SCHEMBL14219626

CC(C)(Br)C(=O)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
QPCT Q16769 1/20 0.39
HSD17B10 Q99714 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
CYP24A1 Q07973 1/20 0.39
TBXAS1 P24557 9/20 0.39
EGLN3 Q9H6Z9 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4616972 0.85 CYP24A1 (0.43) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL7789777 0.82 CYP24A1 (0.38) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL27397907 0.82 CYP24A1 (0.38) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL14219610 0.82 CYP24A1 (0.38) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL9610803 0.82 CYP24A1 (0.38) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL22160768 0.79 CYP24A1 (0.37) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL13446154 0.77 L3MBTL1 (0.40) CYP24A1TBXAS1EGLN3ALDH1A1HTT
SCHEMBL156615 0.77 MAPT (0.37) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL5314422 0.77 ALDH1A1 (0.36) NFKB1QPCTHSD17B10QPCTLCYP24A1
SCHEMBL14295224 0.76 TBXAS1 (0.41) NFKB1QPCTHSD17B10QPCTLCYP24A1

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
US-20160244548-A1 SWITCHABLE MATERIALS, METHODS AND USES THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-08-25 US disclosed
US-20160244548-A1 SWITCHABLE MATERIALS, METHODS AND USES THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-08-25 US disclosed
WO-2015039247-A1 SWITCHABLE MATERIALS, METHODS AND USES THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2015-03-26 WO disclosed
EP-1623002-B1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2008-04-02 EP disclosed
EP-1583814-B1 DETERGENT COMPOSITIONS UNILEVER PLC (GB) 2007-07-11 EP disclosed
US-7179782-B2 Detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2007-02-20 US disclosed
US-7179782-B2 Detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2007-02-20 US disclosed