SCHEMBL15034612

SCHEMBL15034612

COc1ccc(N2CCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
PSMD14 O00487 1/20 0.43
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL15034614 0.98 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTPSMD14TP53
SCHEMBL15034616 0.83 AR (0.51) ALDH1A1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL13285373 0.72 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTPSMD14SMN1; SMN2
SCHEMBL81968 0.71 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTPSMD14TP53
SCHEMBL5157282 0.69
SCHEMBL5150708 0.68 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTPSMD14TP53
SCHEMBL8792084 0.68 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTPSMD14AR
SCHEMBL9915649 0.67 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTPSMD14TP53
SCHEMBL19648935 0.67 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTPSMD14TP53
SCHEMBL12744144 0.65 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157191-A1 TONER FOR ELECTROPHOTOGRAPHY AND IMAGE-FORMING METHOD KONICA MINOLAT BUSINESS TECHNOLOGIES, INC. (JP) 2013-06-20 US disclosed