SCHEMBL9514726

SCHEMBL9514726

O=C(CCCBr)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MGLL Q99685 3/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL31562943 1.00 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL3623157 0.92 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14759878 0.90 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL5497604 0.89 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL16476528 0.88 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL4446336 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1853371 0.86 KMT2A (0.64) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31562946 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10071038 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL31562944 0.86 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320967-B1 ANF derivatives with novel bridging BIO MEGA BOEHRINGER INGELHEIM (CA) 1993-12-08 EP disclosed
US-5242974-A Polymer formation on substrate with tether molecule, unmasking of protective group to form cyclic polymer, bond clevage AFFYMAX TECHNOLOGIES N.V. (NL) 1993-09-07 US disclosed
US-4891358-A ATRIAL NATRIURETIC FACTOR BIO-MEGA INC. (CA) 1990-01-02 US disclosed
EP-0320967-A2 ANF derivatives with novel bridging BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1989-06-21 EP disclosed