SCHEMBL1099540

SCHEMBL1099540

c1ccc2c(c1)c1cccc3c1n2CCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
MCL1 Q07820 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
LIPG Q9Y5X9 5/20 0.48
PIM1 P11309 3/20 0.48
PIM3 Q86V86 3/20 0.48
PIM2 Q9P1W9 1/20 0.48
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
CDK4 P11802 1/20 0.43

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
SCHEMBL10153409 0.89 KMT2A (0.56) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL3545060 0.76 HTR2C (0.67) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL10523717 0.76 HSD17B10 (0.41) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL3550600 0.75 HTR2C (0.68) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL11881460 0.75 HTR2C (0.61) HSD17B10KDM4ECYP1A2HTR2AHTR2C
SCHEMBL31742533 0.73 PIM1 (0.41) HSD17B10ALDH1A1USP2KDM4ECYP1A2
SCHEMBL4488500 0.71 ALKBH5 (0.37) HSD17B10HPGDKDM4ELMNACYP1A2
SCHEMBL5413796 0.71 HTR2C (0.60) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL12457645 0.70 HTR2A (0.71) HSD17B10HPGDALDH1A1USP2KDM4E
SCHEMBL5405488 0.70 HTR2C (0.63) HSD17B10HPGDALDH1A1USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed