SCHEMBL8057746

SCHEMBL8057746

Cc1ccc(OCC(O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
ADRB2 P07550 2/20 0.52
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 3/20 0.52
KCNH2 Q12809 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 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
SCHEMBL9182034 0.78 MAPT (0.58) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9181212 0.76 KMT2A (0.56) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9183149 0.76 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9185511 0.75 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9181883 0.75 ADRB2 (0.65) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9180255 0.74 ADRB2 (0.67) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9179435 0.74 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9181745 0.74 ABCB1 (0.64) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL9183346 0.73 ABCB1 (0.74) KMT2AMEN1LMNAALDH1A1USP2
SCHEMBL11267673 0.73 KDM4E (0.57) KMT2AMEN1LMNAALDH1A1TP53

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-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed