SCHEMBL7474400

SCHEMBL7474400

N=C(N)c1ccccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
F2 P00734 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
PRSS1 P07477 4/20 0.38
PRSS2 P07478 4/20 0.38
PRSS3 P35030 4/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
FOLH1 Q04609 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 2/20 0.35
C1S P09871 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 3/20 0.35
TAAR1 Q96RJ0 3/20 0.35

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
SCHEMBL29732173 0.89 F2 (0.42) F2F10F12F7F3
SCHEMBL2570850 0.83 LMNA (0.43) F2F10F12F7F3
SCHEMBL10804965 0.82 KMT2A (0.39) F2F10F12F7F3
SCHEMBL363595 0.79 BCAT2 (0.48) PTPN1FOLH1KMT2ALMNAHPGD
SCHEMBL5511463 0.79 CYP3A4 (0.45) TDP1KMT2AHTTLMNA
SCHEMBL3188911 0.78 PNMT (0.43) F2F10F12F7F3
SCHEMBL29674786 0.78 PNMT (0.43) F2F10F12F7F3
SCHEMBL6159135 0.78 BLM (0.44) F2F10F12F7F3
SCHEMBL1078217 0.77 LIPG (0.51) KMT2ALMNA
SCHEMBL2155236 0.77 TAAR1 (0.50) FOLH1TAAR1

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
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 WO disclosed