SCHEMBL9080474

SCHEMBL9080474

O=C([CH]c1ccncc1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
SIGMAR1 Q99720 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK14 Q16539 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
POLB P06746 1/20 0.37
CHRNA7 P36544 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA2 P00918 2/20 0.36

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
SCHEMBL11472515 0.85 JUN (0.58) JUNNFKB1POLBHPGDMEN1
SCHEMBL11472516 0.85 JUN (0.58) JUNNFKB1POLBHPGDMEN1
SCHEMBL7827702 0.83 SIGMAR1 (0.56) SIGMAR1POLBRXFP1MEN1KMT2A
SCHEMBL5273 0.75 SIGMAR1 (0.70) ADRB2NCF1PLD1SIGMAR1MKNK1
Hydrochloric Acid SCHEMBL1597605 0.74 SIGMAR1 (0.68) SIGMAR1MKNK1MKNK2CHRNB2CHRNB4
SCHEMBL27667265 0.72 ME2 (0.53) POLBMEN1KMT2A
SCHEMBL4210727 0.71 KMT2A (0.63) JUNNFKB1POLBHPGDMEN1
SCHEMBL4210731 0.71 KMT2A (0.63) JUNNFKB1POLBHPGDMEN1
SCHEMBL293023 0.71 FNTA (0.57) ADRB2NCF1PLD1TPSAB1TPSD1
SCHEMBL11470275 0.71 RAB9A (0.62) JUNNFKB1MKNK1MKNK2POLB

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
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed