SCHEMBL16701397

SCHEMBL16701397

CC1CCN(c2nc(Cl)ncc2Br)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.59
BCR P11274 14/20 0.59
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13649032 0.84 ABL1 (0.56) ABL1BCRSMN1; SMN2TSHRLMNA
SCHEMBL30919741 0.84 HCRTR2 (0.47) ABL1BCRSMN1; SMN2KMT2ATSHR
SCHEMBL17700131 0.81 ABL1 (0.52) ABL1BCR
SCHEMBL1939014 0.79 ABL1 (0.53) ABL1BCRTDP1
SCHEMBL3344468 0.78 ALDH1A1 (0.63) ABL1BCRTSHR
SCHEMBL4304308 0.77 ABL1 (0.52) ABL1BCRSMN1; SMN2
SCHEMBL14276379 0.76 SLC9A1 (0.53) ABL1BCR
SCHEMBL3537856 0.76 MAPT (0.48) ABL1BCRSMN1; SMN2KMT2AMEN1
SCHEMBL4304306 0.74 ABL1 (0.48) ABL1BCR
SCHEMBL10491684 0.74 ABL1 (0.45) ABL1BCRSMN1; SMN2TSHR

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
WO-2015069752-A9 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-09 WO disclosed
WO-2015069752-A1 ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-14 WO disclosed