SCHEMBL3971389

SCHEMBL3971389

CC(C)c1ccc(C(C)C)c(-c2ccccc2N)c1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.43
ADORA2A P29274 3/20 0.41
PTPRC P08575 1/20 0.41
MAOA P21397 2/20 0.40
GCGR P47871 1/20 0.40
FGR P09769 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
DYRK1A Q13627 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CA1 P00915 2/20 0.37

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
SCHEMBL31611936 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL29261015 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL17454722 0.80 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL19840412 0.76 ADORA2A (0.70) ALDH1A1L3MBTL1ADORA2APTPRCMAOA
SCHEMBL3334708 0.75 GABRA1 (0.40) ALDH1A1L3MBTL1ADORA2APTPRCMAOA
SCHEMBL28407844 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL28386348 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CA1
SCHEMBL6925004 0.74 ADORA2A (0.50) ALDH1A1L3MBTL1ADORA2APTPRCMAOA
SCHEMBL104513 0.74 GABRA1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2CYP3A4ALOX15
SCHEMBL30223644 0.74 GABRA1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2CYP3A4ALOX15

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-2083031-A1 CRYSTALLINE RESIN CURED PRODUCT, CRYSTALLINE RESIN COMPOSITE BODY AND METHOD FOR PRODUCING THE SAME Nippon Steel Chemical Co., Ltd. (JP) 2009-07-29 EP disclosed
US-5021320-A Heat resistant HOECHST CELANESE CORPORATION (US) 1991-06-04 US disclosed
US-4845183-A MOLDING MATERIALS; FOR DIELECTRICS OR COATING SOLUTIONS; TOUGHNESS, FLEXIBILITY, TRANSPARENT HOECHST CELANESE CORPORATION (US) 1989-07-04 US disclosed