SCHEMBL9207299

SCHEMBL9207299

CCCCCCCCCCCCCCCCC[N]C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 3/20 0.47
DNM1 Q05193 6/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL302707 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL303118 1.00
SCHEMBL9219931 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL577753 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL2564589 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL3386412 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL2565171 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL304992 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL577732 1.00 TSHR (0.53) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL59455 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995004306-A1 ORGANIC CHARGE TRANSFER COMPOUNDS WITH LIQUID CRYSTAL PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1995-02-09 WO disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed