SCHEMBL9249486

SCHEMBL9249486

C=CCN(C(=O)O)c1ccccc1.CCN(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
GLA P06280 1/20 0.58
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL946547 0.91 TSHR (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL380050 0.86 ALDH1A1 (0.76) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL27811431 0.84 ALDH1A1 (0.73) ALDH1A1TSHRGLAMEN1KMT2A
Hydrochloric Acid SCHEMBL3454478 0.84 ALDH1A1 (0.73) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL9249496 0.83 TSHR (0.53) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11318625 0.82 ALDH1A1 (0.56) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11438699 0.82 TSHR (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11431871 0.82 TSHR (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL4207496 0.81 TSHR (0.51) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL2577552 0.81 TSHR (0.54) ALDH1A1TSHRGLAMEN1KMT2A

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
EP-0410900-B1 Method for the preparation of methylene di(phenylurethane) RHONE POULENC CHIMIE (FR) 1995-03-15 EP claimed