SCHEMBL8210946

SCHEMBL8210946

[CH2]C([K])(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL297878 0.73 KCNN4 (0.47) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL3173030 0.73 KCNN4 (0.47) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL127186 0.73 KCNN4 (0.47) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL8766210 0.71 KCNN4 (0.45) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL28757123 0.71 KCNN4 (0.45) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL11439383 0.71 KCNN4 (0.45) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL28672611 0.71 KCNN4 (0.45) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL23525262 0.69 TSHR (0.58) KCNN4ALDH1A1TSHRPTPN1MAPK1
SCHEMBL1243336 0.69 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL2201549 0.69 CYP1A2 (0.44) KCNN4ALDH1A1TSHRPTPN1MAPK1

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
CN-102510857-B method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2015-05-13 CN claimed
CN-102510857-A method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2012-06-20 CN claimed
CN-102510857-B method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2015-05-13 CN disclosed
CN-102510857-A method for producing 3-substituted-oxy-4-pyridazinol derivative MITSUI CHEMICALS AGRO INC 2012-06-20 CN disclosed
US-6025437-A Block-graft copolymer, self-crosslinked polymer solid electrolyte and composite solid electrolyte manufactured through use of the block-graft copolymer, and solid cell employing the composite solid electrolyte SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
US-5219681-A Lithium cell SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-06-15 US disclosed