SCHEMBL7593383

SCHEMBL7593383

CCS(=O)(=O)[O-].C[N+](C)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PSIP1 O75475 1/20 0.39
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
CXCR3 P49682 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL330944 0.88 KDM4E (0.65) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL28266560 0.86 DNM1 (0.49) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL3895000 0.85 LMNA (0.47) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL8894036 0.84 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL9321980 0.84 DNM1 (0.44) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330483 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330707 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL330693 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
Trifluoromethanesulfonic Acid SCHEMBL30851370 0.83 KDM4E (0.44) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL374778 0.82 ALDH1A1 (0.67) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728743-B1 3-Amino-tetrahydrocarbazol propanoic acid esters BAYER AG (DE) 2002-10-30 EP disclosed
US-5684158-A 3-amino!-tetrahydrocarbazole-propanoic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
EP-0728743-A1 3-Amino-tetrahydrocarbazol propanoic acid esters BAYER AG (DE) 1996-08-28 EP disclosed