SCHEMBL9869681

SCHEMBL9869681

COC(=O)c1ccc(/C=N/Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
KMT2A Q03164 6/20 0.59
GAA P10253 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MEN1 O00255 4/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
MITF O75030 1/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
CRHBP P24387 1/20 0.48
HTT P42858 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL9520101 1.00 MAPT (0.59) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL9869669 0.86 MAPT (0.78) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL9520088 0.86 MAPT (0.78) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL4172201 0.79 MAPT (0.70) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL4172197 0.79 MAPT (0.70) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL4747964 0.76 CA1 (0.64) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL4747962 0.76 CA1 (0.64) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL22235430 0.76 CA1 (0.55) MAPTKMT2ASMN1; SMN2MEN1CA1
SCHEMBL16039805 0.75 RAB9A (0.62) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL16039803 0.75 RAB9A (0.62) MAPTKMT2AGAASMN1; SMN2MEN1

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-5072042-A Skin disorders, anticarcinogenic-antitumor agent BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed