Sugi Predict

Sugi Predict / Compounds / SCHEMBL8934740

SCHEMBL8934740

SCHEMBL8934740

N[C@@H](CS)CNc1cccc(C(=O)NCc2cccc3ccccc23)c1.N[C@@H](CS)CNc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ BCHE P06276 2/20 0.46
▸ FNTA P49354 4/20 0.46
▸ FNTB P49356 4/20 0.46
▸ PGGT1B P53609 4/20 0.46
▸ CA2 P00918 1/20 0.45

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
SCHEMBL8934736 1.00 MAPT (0.50) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7997173 0.95 CA2 (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7997171 0.95 CA2 (0.49) MAPTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7993324 0.94 CA2 (0.48) MAPTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7993330 0.94 CA2 (0.48) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7994798 0.85 FNTA (0.58) KMT2AFNTAFNTBPGGT1B
SCHEMBL7994795 0.85 FNTA (0.58) KMT2AFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7996273 0.84 FNTA (0.57) KMT2AFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7996274 0.84 FNTA (0.57) KMT2AFNTAFNTBPGGT1B
SCHEMBL7996400 0.83 SIRT2 (0.54) LMNAFNTAFNTBPGGT1B

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
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 — — WO claimed