SCHEMBL11368666

SCHEMBL11368666

Cc1cccc2c1NC(=S)C2C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CREBBP Q92793 1/20 0.36
DAO P14920 1/20 0.35
HTR2C P28335 6/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HTR5A P47898 1/20 0.32
POLB P06746 1/20 0.31
CD44 P16070 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
SCHEMBL117726 0.79 HTR2C (0.36) MEN1KMT2ADAOHTR2CCA1
SCHEMBL116596 0.79 MEN1 (0.39) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL24112230 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL24112725 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL5873718 0.69 EGFR (0.47) ALDH1A1MEN1KMT2AHTR5A
SCHEMBL20991196 0.69 MEN1 (0.47) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL9791473 0.64 MEN1 (0.55) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL8519908 0.63 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL31607527 0.63 MEN1 (0.58) ALDH1A1MEN1KMT2ACREBBPHTR2C
SCHEMBL10717778 0.62 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252723-A Air oxidation of oxindoles to isatins REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1981-02-24 US disclosed
US-4188325-A Isatin process and products REGENTS OF UNIVERSITY OF MINNESOTA (US) 1980-02-12 US disclosed
US-4186132-A Isatin products THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1980-01-29 US disclosed