SCHEMBL10696517

SCHEMBL10696517

COc1ccc(CCC(O)Cc2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
THRB P10828 1/20 0.44
PTAFR P25105 3/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10695591 0.92 PTAFR (0.48) KMT2AGAAHTTSMN1; SMN2CRHBP
SCHEMBL10694457 0.91 KMT2A (0.46) KMT2AGAAHTTSMN1; SMN2CRHBP
SCHEMBL10695136 0.87 PTAFR (0.51) KMT2AGAAPTAFR
SCHEMBL10642535 0.82 CA1 (0.57) KMT2AGAAHTTSMN1; SMN2CRHBP
SCHEMBL28177089 0.81 KMT2A (0.56) KMT2AGAAHTTSMN1; SMN2CRHBP
SCHEMBL8477516 0.81 CYP11B2 (0.51) SMN1; SMN2CYP11B1CYP11B2RAB9APTAFR
SCHEMBL11792769 0.80 GAA (0.52) KMT2AGAAHTTSMN1; SMN2CRHBP
SCHEMBL19090372 0.78 TDP1 (0.57) KMT2AGAACRHBPCRHR2PTAFR
SCHEMBL18063436 0.78 ALDH1A1 (0.58) KMT2AHTTSMN1; SMN2MEN1RAB9A
SCHEMBL7277594 0.77 HTT (0.56) KMT2AHTTSMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP claimed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed