SCHEMBL10691570

SCHEMBL10691570

CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2C(=O)O)c2ccc(N(C)C)cc2N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
CNR2 P34972 10/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC16A3 O15427 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC16A1 P53985 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRK6 P43250 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL7778136 0.91 ALDH1A1 (0.44) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10999527 0.90 ALDH1A1 (0.43) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10689753 0.90 ALDH1A1 (0.42) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL7778133 0.88 ALDH1A1 (0.43) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL8324518 0.86 L3MBTL1 (0.44) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10687283 0.85 SMN1; SMN2 (0.39) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL7778164 0.85 ALDH1A1 (0.48) ALDH1A1TSHRCNR2MEN1KMT2A
SCHEMBL10692670 0.83 SLC2A1 (0.50) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL10689098 0.82 TDP1 (0.39) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL7778519 0.81 CNR2 (0.43) ALDH1A1TSHRCNR2MEN1KMT2A

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed