SCHEMBL20116623

SCHEMBL20116623

O=C(I)[C@@H]1CC(=O)N(c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.53
USP30 Q70CQ3 2/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA13 Q8N1Q1 1/20 0.52
POLB P06746 1/20 0.52
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL892508 0.86 CA12 (0.66) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL20116495 0.86 CA12 (0.66) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16131376 0.83 RAB9A (0.60) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13803643 0.83 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL892079 0.80 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14817520 0.80 TSHR (0.76) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17321490 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL19675708 0.80 NPC1 (0.60) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL20676025 0.79 CA12 (0.74) TSHRKMT2ACA12CA1CA2
SCHEMBL28309455 0.78 SMN1; SMN2 (0.65) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed