SCHEMBL13985148

SCHEMBL13985148

N=C(C1=CC=C/C1=C(/N)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ BLM P54132 2/20 0.39
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ RECQL P46063 2/20 0.38
▸ C1S P09871 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C19 P33261 2/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL16856129 0.71 F2 (0.41) F2F10F12F7F3
SCHEMBL16954 0.65 F2 (0.58) F2F10F12F7F3
SCHEMBL27411702 0.65 F2 (0.58) F2F10F12F7F3
SCHEMBL22073252 0.63 AKT1 (0.32) F2F10F12F7F3
Benzamidine SCHEMBL3898812 0.63 F2 (0.94) F2F10F12F7F3
Hydrochloric Acid SCHEMBL18795794 0.62 BLM (0.60) F2F10F12F7F3
SCHEMBL28001024 0.62 F2 (0.55) F2F10F12F7F3
SCHEMBL10607595 0.62 F2 (0.55) F2F10F12F7F3
SCHEMBL4578344 0.62 F2 (0.55) F2F10F12F7F3
Hydrochloric Acid SCHEMBL30040932 0.62 BLM (0.60) F2F10F12F7F3

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-1997834-A1 Catalysts Borealis Technology Oy (FI) 2008-12-03 — — EP disclosed
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