Sugi Predict

Sugi Predict / Compounds / SCHEMBL9759623

SCHEMBL9759623

SCHEMBL9759623

C=CCNC(=S)c1ccc2c(c1OC(=O)/C=C/C(=O)Oc1c(C(=S)NCC=C)ccc3c1N(C(C)CN1CC=CC1)c1ccccc1S3)N(C(C)CN1CC=CC1)c1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL9758786 0.92 KMT2A (0.39) KMT2ABCHEACHE
SCHEMBL9759341 0.90 BCHE (0.37) BCHEACHE
SCHEMBL9759300 0.80 FPR2 (0.35) KMT2ABCHEACHE
Fumaric Acid SCHEMBL9759619 0.78 KMT2A (0.40) KMT2ABCHEACHE
Fumaric Acid SCHEMBL9759629 0.78 KMT2A (0.40) KMT2ABCHEACHE
SCHEMBL9334129 0.78 KMT2A (0.40) KMT2ABCHEACHE
SCHEMBL9759380 0.75 BCHE (0.35) BCHEACHE
SCHEMBL9332095 0.74 KMT2A (0.45) KMT2A
SCHEMBL9759438 0.74 FPR2 (0.36) KMT2ABCHEACHE
Fumaric Acid SCHEMBL9758783 0.73 KMT2A (0.41) KMT2A

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 — — US disclosed