SCHEMBL14432143

SCHEMBL14432143

O=C1NCCN1CCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TAAR1 Q96RJ0 3/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL3033992 0.86 POLB (0.68) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL20569188 0.84 TAAR1 (0.42) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL14431723 0.82 KMT2A (0.76) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL4281294 0.81 POLB (0.51) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL27754661 0.78 ALDH1A1 (0.47) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL29283176 0.72 ALDH1A1 (0.50) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL4281747 0.71 HSP90AA1 (0.56) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5256343 0.71 SIGMAR1 (0.58) POLBMEN1KMT2ATAAR1SIGMAR1
SCHEMBL29452905 0.71 SMN1; SMN2 (0.49) POLBMEN1KMT2AMAPTCYP2C9
SCHEMBL3038501 0.71 SMN1; SMN2 (0.56) POLBMEN1KMT2AMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed