SCHEMBL8894036

SCHEMBL8894036

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 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
PSIP1 O75475 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL330945 0.88 KDM4E (0.65) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL27296193 0.85 ALDH1A1 (0.45) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL7593383 0.84 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1
Benzododecinium SCHEMBL330694 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330708 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330484 0.84 DNM1 (0.79) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL25948754 0.83 DNM1 (0.50) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL374778 0.82 ALDH1A1 (0.67) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL331081 0.82 CYP1A2 (0.45) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL350935 0.80 DNM1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684158-A 3-amino!-tetrahydrocarbazole-propanoic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed