SCHEMBL23009463

SCHEMBL23009463

Nc1c(C(=O)N2CCCCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KMT2A Q03164 6/20 0.67
HPGD P15428 5/20 0.67
MEN1 O00255 5/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
MAPT P10636 8/20 0.61
KDM4E B2RXH2 7/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
TLR9 Q9NR96 1/20 0.61
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.58
HSD17B10 Q99714 4/20 0.53
LIMK1 P53667 4/20 0.52
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
BRCA1 P38398 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
CRHBP P24387 1/20 0.48

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
SCHEMBL429408 0.90 ALDH1A1 (0.65) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL426366 0.85 LIMK1 (0.72) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL14955051 0.84 KMT2A (0.76) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL19769226 0.83 KMT2A (0.74) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL23009467 0.82 KMT2A (0.73) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL431989 0.77 KMT2A (0.66) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL18153568 0.77 HPGD (0.61) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL25411417 0.76 ALDH1A1 (0.67) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL18999965 0.75 FOXM1 (0.68) ALDH1A1KMT2AHPGDMEN1L3MBTL1
SCHEMBL5733417 0.75 KMT2A (0.62) ALDH1A1KMT2AHPGDMEN1L3MBTL1

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-2021028919-A1 METHODS AND COMPOSITIONS FOR PREVENTING SKIN TOXICITIES CAUSED BY BIOLOGICAL TARGETED CANCER DRUGS HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2021-02-18 WO disclosed