SCHEMBL7282006

SCHEMBL7282006

Cc1ccc(OCC(O)CN2CCNCC2)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.63
LMNA P02545 3/20 0.61
ALOX15 P16050 1/20 0.58
POLB P06746 1/20 0.57
ABCB1 P08183 2/20 0.56
ADRB2 P07550 2/20 0.55
USP2 O75604 2/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL22639949 0.87 KMT2A (0.75) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL22640040 0.87 KMT2A (0.75) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL22639797 0.85 KMT2A (0.97) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL16392433 0.85 KMT2A (0.97) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL22640144 0.84 LMNA (0.82) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL7289695 0.84 LMNA (0.82) KMT2AMEN1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11619915 0.83 KMT2A (0.80) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6754439 0.81 USP2 (0.81) KMT2AMEN1MAPTPOLBUSP2
SCHEMBL24322624 0.80 L3MBTL1 (0.72) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL11121575 0.79 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2TP53

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-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed