SCHEMBL9630573

SCHEMBL9630573

C1=C(NCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
APEX1 P27695 1/20 0.45
GRIN2B Q13224 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 2/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RAD52 P43351 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL6248215 0.90 POLB (0.57) POLBKMT2AMEN1APEX1GRIN2B
SCHEMBL6014539 0.88 POLB (0.56) POLBKMT2AMEN1APEX1GRIN2B
SCHEMBL3796493 0.87 POLB (0.54) POLBKMT2AMEN1APEX1GRIN2B
SCHEMBL3374310 0.75 POLB (0.48) POLBKMT2AMEN1GRIN2BHSD17B10
SCHEMBL9629583 0.72 MEN1 (0.52) KMT2AMEN1GRIN2BMAPTTHRB
SCHEMBL23808912 0.72 POLB (0.47) POLBKMT2AMEN1APEX1HSD17B10
SCHEMBL8321902 0.72 POLB (0.81) POLBKMT2AMEN1APEX1HSD17B10
SCHEMBL3370120 0.71 POLB (0.50) POLBKMT2AMEN1HSD17B10HTT
SCHEMBL13528779 0.71 POLB (0.46) POLBKMT2AMEN1APEX1HSD17B10
SCHEMBL9433553 0.70 L3MBTL1 (0.47) KMT2AMEN1GRIN2BHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039295-C Polyester backed acrylic composite molded structure AMERICAN STANDARD INC (US) 1998-07-29 CN claimed
EP-0213080-B1 HYDROGENATED PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-05-20 EP disclosed
US-4939160-A Nootropic agents CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
US-4833169-A MEMORY ACTIVATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US disclosed
EP-0213080-A2 Hydrogenated pyridine derivatives CIBA-GEIGY AG (CH) 1987-03-04 EP disclosed