SCHEMBL17706285

SCHEMBL17706285

O=C(NCCCN1CCOCC1)c1ccc(I)cc1F

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
BCL3 P20749 3/20 0.65
ALDH1A1 P00352 2/20 0.62
LMNA P02545 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.55
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL17706244 0.86 KMT2A (0.65) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL17678080 0.86 LMNA (0.79) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL17706243 0.86 KMT2A (0.65) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL77220 0.86 KMT2A (0.65) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL14756465 0.84 KMT2A (0.63) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL15250780 0.83 KMT2A (0.62) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL15250789 0.83 KMT2A (0.62) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL2024494 0.81 MAP2K1 (0.58) KMT2ABCL3ALDH1A1LMNASMN1; SMN2
SCHEMBL17554128 0.79 BCL3 (1.00) KMT2ABCL3ALDH1A1LMNAPOLB
SCHEMBL17678082 0.79 LMNA (0.67) KMT2ABCL3LMNATSHREPHX2

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-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed