SCHEMBL12433648

SCHEMBL12433648

Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3A P46098 2/20 0.38
CYP1A2 P05177 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL18083575 0.84 CYP2A6 (0.42) CYP2A6TDP1POLBCYP1A2SMN1; SMN2
SCHEMBL14667911 0.84 CYP1A2 (0.41) CYP2A6TDP1POLBKMT2ACYP1A2
SCHEMBL16502133 0.84 ALDH1A1 (0.46) CYP2A6TDP1HSP90AA1POLBKMT2A
SCHEMBL23220417 0.83 HSP90AA1 (0.45) HSP90AA1POLBKMT2AHTR3ACYP1A2
SCHEMBL13752329 0.82 P2RX4 (0.44) SMN1; SMN2MAPTNPSR1ALDH1A1HSD17B10
SCHEMBL18770792 0.82 HSP90AA1 (0.50) HSP90AA1POLBKMT2AHTR3ACYP1A2
SCHEMBL12374349 0.82 ALDH1A1 (0.42) HSP90AA1SMN1; SMN2NPSR1ALDH1A1TSHR
SCHEMBL12374353 0.81 ELANE (0.43) POLBSMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL16502148 0.80 ALDH1A1 (0.43) CYP2A6TDP1POLBKMT2ACYP1A2
SCHEMBL15316124 0.80 HSP90AA1 (0.49) TDP1HSP90AA1KMT2ACYP2C9CYP3A4

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
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed