SCHEMBL9869669

SCHEMBL9869669

CC(C)(C)c1cc(N/N=C/c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.78
GAA P10253 13/20 0.78
SMN1; SMN2 Q16637 10/20 0.78
MEN1 O00255 8/20 0.78
KMT2A Q03164 8/20 0.78
MITF O75030 3/20 0.78
HPGD P15428 2/20 0.78
RAB9A P51151 14/20 0.67
NPC1 O15118 13/20 0.67
POLB P06746 4/20 0.63
CRHBP P24387 1/20 0.63
HTT P42858 1/20 0.63
CRHR2 Q13324 1/20 0.63
ALDH1A1 P00352 3/20 0.58
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
PKM P14618 2/20 0.56
ATM Q13315 1/20 0.56
CA1 P00915 1/20 0.55

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
SCHEMBL9520088 1.00 MAPT (0.78) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL26915332 0.87 MAPT (1.00) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL26935010 0.87 MAPT (1.00) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL9520101 0.86 MAPT (0.59) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL9869681 0.86 MAPT (0.59) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL2681914 0.77 RAB9A (0.74) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL714966 0.74 RAB9A (0.74) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL714967 0.74 RAB9A (0.74) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL26915270 0.73 GAA (0.72) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL26915313 0.73 MAPT (1.00) MAPTGAASMN1; SMN2MEN1KMT2A

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