SCHEMBL7900537

SCHEMBL7900537

C[C](C)CC(=S)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL7900541 0.85 HPGD (0.47) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL3686150 0.84 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9032099 0.81 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL14369503 0.80 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL15907989 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL10168511 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL7769437 0.77 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL109045 0.77 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL19695817 0.77 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL300884 0.77 CA12 (0.42) ALDH1A1HPGDMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217845-B1 IMAGING; THERAPY ANORMED, INC. (CA) 2001-04-17 US disclosed
US-5206370-A Certain pyridyl hydrazines and hydrazides useful for protein labeling JOHNSON MATTHEY, INC. (US) 1993-04-27 US disclosed