SCHEMBL9580995

SCHEMBL9580995

CC(C)(C)C(O)C=C(c1ccc(Cl)cc1)n1cncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
HSP90AA1 P07900 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.38
PDE4B Q07343 1/20 0.36
CYP19A1 P11511 4/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.34
MITF O75030 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
SCHEMBL9580993 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9854150 0.83 CYP19A1 (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10923584 0.83 CYP19A1 (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9854146 0.83 CYP19A1 (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL11555447 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10860058 0.73 KMT2A (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10565615 0.71 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3222315 0.71 RAB9A (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8322896 0.71 RAB9A (0.58) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL19803 0.71 RAB9A (0.58) ALDH1A1MEN1KMT2ALMNASMN1; 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-5206225-A ALKYLCARBOXYLIC ACID DIMETHYLAMIDES AS CRYSTALLIZATION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed