SCHEMBL10694099

SCHEMBL10694099

O=C1C(c2ccccc2)Cc2ccccc2N1O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 11/20 0.61
KYAT1 Q16773 2/20 0.61
KYAT3 Q6YP21 2/20 0.61
GOT1 P17174 1/20 0.61
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EEF2K O00418 1/20 0.39
NOTUM Q6P988 2/20 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
SCHEMBL10695532 0.80 TSHR (0.65) AADATKYAT1KYAT3GOT1KMT2A
SCHEMBL30489285 0.80 TSHR (0.65) AADATKYAT1KYAT3GOT1KMT2A
SCHEMBL2924606 0.79 KMT2A (0.62) AADATKYAT1KYAT3GOT1KMT2A
SCHEMBL6435085 0.76 AADAT (0.65) AADATKYAT1KYAT3GOT1NOTUM
SCHEMBL2955903 0.76 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL31656272 0.76 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL3773423 0.76 AADAT (1.00) AADATKYAT1KYAT3GOT1
SCHEMBL2132616 0.76 AADAT (1.00) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL5134046 0.75 AADAT (0.97) AADATKYAT1KYAT3GOT1
Hydrochloric Acid SCHEMBL7421319 0.75 AADAT (0.97) AADATKYAT1KYAT3GOT1

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-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed